[References are listed in CIF format. Square brackets are used to
delineate comments, etc., that do not form part of the reference.]

Abrahams, S. C. & Keve, E. T. (1971). <i>Acta Cryst.</i> A<b>27</b>, 157--165.

Accelrys (1998). <i>INSIGHTII</i>. Accelrys Inc., San Diego, California, USA.

Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C.
(1984). <i>J. Chem. Soc. Dalton Trans.</i> pp. 1349--1356.
[Tau distortions of coordination polyhedra.]

Ahmed, F. R., Hall, S. R., Pippy, M. E. & Huber, C. P. (1966). <i>NRC
Crystallographic Programs for the IBM360 System</i>. <i>World List of
Crystallographic Computer Programs</i>, p. 52. Utrecht: Oosthoek.

Ahmed, F. R., Hall, S. R., Pippy, M. E. & Huber, C. P. (1973). <i>J. Appl. 
Cryst.</i> <b>6</b>, 309--346.
[<i>NRC Crystallographic Computer Programs for the IBM/360</i>. Accession Nos.
133--147.]

Albada, G. A. van, Komaei, S. A., Kooijman, H., Spek, A. L. & Reedijk, J.
(1999). <i>Inorg. Chim. Acta</i>, <b>287</b>, 226--231.
[Distortion of coordination polyhedra.]

Albert, A. & Cano, F. H. (1991). <i>CONTACTOS</i>. Instituto Rocasolano, CSIC,
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[A Program for the Systematic Study of Aromatic Ring Interactions.]

Alcock, N. W. (1970). <i>Crystallographic Computing</i>, edited by F. R. Ahmed,
S. R. Hall & C. P. Huber, p. 271. Copenhagen: Munksgaard.
[Analytical absorption correction]

[*NB* As of November 2002, CCDC prefer the following:]
Allen, F. H. (2002). <i>Acta Cryst.</i> B<b>58</b>, 380--388.

Allen, F. H., Bellard, S., Brice, M. D., Cartwright, B. A., Doubleday, A.,
Higgs, H., Hummelink, T., Hummelink-Peters, B. G., Kennard, O., Motherwell, 
W. D. S., Rodgers, J. R. & Watson, D. G. (1979). <i>Acta Cryst.</i> B<b>35</b>,
2331--2339.

Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae,
C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991).
<i>J. Chem. Inf. Comput. Sci.</i> <b>31</b>, 187--204.

Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004).
<i>J. Appl. Cryst.</i> <b>37</b>, 335--338.
[<i>enCIFer</i>]

Allen, F. H. & Kennard, O. (1993). <i>Chem. Des. Autom. News</i>, <b>8</b>, 1,
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[3D Search and Research Using the Cambridge Structural Database]

Allen, F. H., Kennard, O. & Taylor, R. (1983). <i>Acc. Chem. Res.</i>
<b>16</b>, 146--153.

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor,
R. (1987). <i>J. Chem. Soc. Perkin Trans. 2</i>, pp. S1--19.
[Organic bond-length data. Reproduced in IT Vol. C, so may be cited there 
instead]

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor,
R. (1995). <i>International Tables for Crystallography</i>, Volume C, edited 
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[Reproduction of previous reference]

Allinger, N. L. & Yuh, Y. (1977). <i>MM2</i>. QCPE No. 3951. Department of
Chemistry, University of Indiana, USA.

Altomare, A., Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L.,
Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Rizzi, R.
(1999). <i>J. Appl. Cryst.</i> <b>32</b>, 339--340.
[<i>EXPO</i>. Program for solution of powder structures by direct methods]

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
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[<i>SIR97</i>]

Altomare, A., Burla, M. C., Cascarano, G., Giacovazzo, C., Guagliardi, A.,
Moliterni, A. G. G. & Polidori, G. (1995). <i>J. Appl. Cryst.</i> <b>28</b>,
842--846.
[<i>EXTRA</i>. A program for extracting structure-factor amplitudes from powder 
diffraction data.]

Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). <i>J.
Appl. Cryst.</i> <b>26</b>, 343--350.
[<i>SIR92</i>]

Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C.,
Polidori, G. & Camalli, M. (1994). <i>J. Appl. Cryst.</i> <b>27</b>, 435.
[<i>SIR92</i>]

Altomare, A., Cascarano, C., Giacovazzo, C., Guagliardi, A., Moliterni, A. G.
G., Burla, M. C., Polidori, G., Camalli, M. & Spagna, R. (1997). <i>SIR97</i>.
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[A Package for Crystal Structure Solution by Direct Methods and Refinement.]

Altona, C. & Sundaralingam, M. (1972). <i>J. Am. Chem. Soc.</i> <b>94</b>,
8205--8212.
[Pseudorotation parameters.]

Appleman, D. C. (1971). <i>LSUCRE</i>. US Geological Survey, Washington DC, 
USA.

http://www.arkat.org. [Arkivoc online journal. Also has a printed version.]

B. A. Frenz & Associates Inc. (1982). <i>SDP Structure Determination
Package</i>. College Station, Texas, USA.

B. A. Frenz & Associates Inc. (1983). <i>SDP-Plus Structure Determination
Package</i>. College Station, Texas, USA, and Enraf--Nonius, Delft, The
Netherlands.

B. A. Frenz & Associates Inc. (1984). <i>SDP-Plus Structure Determination
Package</i>. College Station, Texas, USA.

Barbour, L. J. (2001). <i>J. Supramol. Chem.</i> <b>1</b>, 189--191. 
[<i>X-SEED</i>]

Bassindale, A. (1984). <i>The Third Dimension in Organic Chemistry</i>, ch. 1,
p. 11. New York: John Wiley.

Batten, S. R. & Robson, R. (1998). <i>Angew. Chem. Int. Ed.</i> <b>37</b>,
1460--1494.
[Nets in hydrogen bonding.]

Baudoux, G. & Evrard, G. (1993). <i>NONIUS93</i>. Facult\'es Universitaires
Notre-Dame de la Paix, Namur, Belgium.

Becker, P. J. & Coppens, P. (1974). <i>Acta Cryst.</i> A<b>30</b>, 129--147.

Belletti, D., Ugozzoli, F., Cantoni, A. & Pasquinelli, G. (1979). <i>Gestione
on Line di Diffrattometro a Cristallo Singolo Siemens AED con Sistema General
Automation Jumbo 220.</i> Internal Report 1-3/79. Centro di Studio per la
Strutturistica Diffrattometrica del CNR, Parma, Italy.

Bergerhoff, G. (1996). <i>DIAMOND</i>. Bonn, Germany.
[Visual Crystal Information System. Also under Brandenburg.]

Bergerhoff, G., Berndt, M. & Brandenburg, K. (1996). <i>J. Res. Natl Inst.
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[Alternative <i>DIAMOND</i> reference]

Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig,
H., Shindyalow, I. N. & Bourne, P. E. (2000). <i>Nucleic Acids Res.</i>
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[Protein Data Bank, definitive and original reference.
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Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). <i>Angew. Chem.
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[Graph-set analysis]

Bernstein, J., Etter, M. C. & Leiserowitz, L. (1994). <i>Structure
Correlation</i>, Vol. 2, edited by H.-B. B\"urgi & J. D. Dunitz, pp. 431--507.
New York: VCH.

Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, C. K. & Watkin, D.
J. (2003). <i>J. Appl. Cryst.</i> <b>36</b>, 1487.
[<i>CRYSTALS</i>].

Beurskens, P. T. (1984). <i>DIRDIF</i>. Technical Report 1984/1.
Crystallography Laboratory, Toernooiveld, Nijmegen, The Netherlands.
[Direct Methods for Difference Structures - an Automatic Procedure for Phase
Extension and Refinement of Difference Structure Factors.]

Beurskens, P. T., Admiraal, G., Beurskens, G., Bosman, W. P., Garc\'ia-Granda,
S., Gould, R. O., Smits, J. M. M. & Smykalla, C. (1992). <i>The DIRDIF Program
System.</i> Technical Report of the Crystallography Laboratory, University of
Nijmegen, The Netherlands.

Beurskens, P. T., Admiraal, G., Beurskens, G., Bosman, W. P., Garc\'ia-Granda,
S., Gould, R. O., Smits, J. M. M. & Smykalla, C. (1996). <i>The DIRDIF96
Program System.</i> Technical Report of the Crystallography Laboratory,
University of Nijmegen, The Netherlands.

Beurskens, P. T., Admiraal, G., Beurskens, G., Bosman, W. P., de Gelder, R.,
Israel, R. & Smits, J. M. M. (1994). <i>The DIRDIF94 Program System.</i>
Technical Report of the Crystallography Laboratory, University of Nijmegen,
The Netherlands.

Beurskens, P. T., Bosman, W. P., Doesburg, H. M., Gould, R. O., van den Hark,
Th. E. M., Prick, P. A., Noordik, J. H., Beurskens, G., Parthasarthi, V.,
Bruins Slot, H. J. & Haltiwanger, R. C. (1983). <i>DIRDIF</i>. Technical
Report 1983/1. Crystallography Laboratory, Toernooiveld, Nijmegen, The
Netherlands.

Beurskens, P. T., Beurskens, G., de Gelder, R., Garc\'ia-Granda, S., Israel,
R., Gould, R. O. & Smits, J. M. M. (1999). <i>The DIRDIF99 Program System.</i>
Technical Report of the Crystallography Laboratory, University of Nijmegen,
The Netherlands.

Biosym Technologies (1995). <i>INSIGHT II</i>. Biosym Technologies Inc., San 
Diego, California, USA.
[Company name changed to Molecular Simulations Inc. around 1997 and to Accelrys 
around 1998.]

Blessing, R. H. (1987). <i>Crystallogr. Rev.</i> <b>1</b>, 3--58. 
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Blessing, R. H. (1989). <i>J. Appl. Cryst.</i> <b>22</b>, 396--397.
[DREADD]

Blessing, R. H. (1995). <i>Acta Cryst.</i> A<b>51</b>, 33--38.

Blessing, R. H. (1997). <i>J. Appl. Cryst.</i> <b>30</b>, 421--426.

Boer, J. L. de & Duisenberg, A. J. M. (1984). <i>Acta Cryst.</i> A<b>40</b>,
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[<i>SET4</i>]

Bondi, A. (1964). <i>J. Phys. Chem.</i> <b>68</b>, 441--451.

Braga, D., Grepioni, F., Biradha, K., Pedireddi, V. R. & Desiraju, G. R.
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[Hard and soft hydrogen bonds defined.]

Brandenburg, K. (1996). <i>DIAMOND</i>. University of Bonn, Germany.
[Visual Information System for Crystal Structures. Also under Bergerhoff.]

Brandenburg, K. (1998). <i>DIAMOND</i>. University of Bonn, Germany.

Brandenburg, K. & Berndt, M. (1999). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, 
Germany.

Brandenburg, K. (1999). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. (2000). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. (2001). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. (2004). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. (2005). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. & Putz, H. (2005). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, 
Germany.

Brandenburg, K. & Putz, H. (2005). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, 
Germany.

Brandenburg, K. (2006). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brandenburg, K. (2006). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany. 
[http://www.crystalimpact.com/diamond]

Brandenburg, K. (2007). <i>DIAMOND</i>. Crystal Impact GbR, Bonn, Germany.

Brese, N. E. & O'Keeffe, M. (1991). <i>Acta Cryst.</i> B<b>47</b>, 192--197.
[Bond valence calculations.]

Brock, C. P. & Dunitz, J. D. (1994). <i>Chem. Mater.</i> <b>6</b>, 1118--1127.
[Hydrogen bonds versus van der Waals forces.]

Brown, I. D. (1981). <i>Struct. Bonding Cryst.</i> <b>2</b>, 1--13.
[Bond-valence calculations and analysis.]

Brown, I. D. (1994). <i>Bond-Length--Bond-Valence Relationships in Inorganic
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Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry: The Bond Valence
Model. Oxford University Press.

Brown, I. D. & Altermatt, D. (1985). <i>Acta Cryst.</i> B<b>41</b>, 244--247.
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Brueggemann, R. & Schmid, G. (1990). <i>ORTEP3.2</i>. University of
Ulm, Germany.

Bruker (1997). <i>SHELXTL</i>. Bruker AXS Inc., Madison, Wisconsin, USA.
[Could also be under Sheldrick (1997)].

Bruker (1997). <i>SMART, SAINT and SADABS</i>. Bruker AXS Inc., Madison, 
Wisconsin, USA.

Bruker (1997). <i>SMART and SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (1998). <i>SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (1998). <i>SAINT-Plus and SMART</i>. Bruker AXS Inc., Madison, 
Wisconsin, USA.

Bruker (1998). <i>SHELXTL-NT</i>.  Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (1998). <i>SMART-NT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (1998). <i>SMART and SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (1998). <i>SMART, SAINT, SADABS and SHELXTL</i>. Bruker AXS Inc.,
Madison, Wisconsin, USA.

Bruker (1999). <i>SMART</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (1999). <i>SMART-NT, SAINT-Plus NT and SADABS</i>. Bruker AXS Inc., 
Madison, Wisconsin, USA.

Bruker (1999). <i>SMART and SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (1999). <i>SAINT-Plus</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (1999). <i>SMART and SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (2000). <i>SADABS</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2000). <i>SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2000). <i>SMART</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2000). <i>SMART and SAINT-Plus</i>. Bruker AXS Inc., Madison, 
Wisconsin, USA.

Bruker (2000). <i>SHELXTL-NT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SMART</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SAINT and SMART</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (2001). <i>SAINT and SMART</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Bruker (2001). <i>SADABS</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SHELXTL</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SMART and SAINT for Windows NT, and SHELXTL and XPREP 
for UNIX</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2001). <i>SMART, SADABS and SHELXTL</i>. Bruker AXS Inc., Madison, 
Wisconsin, USA.

[April 2001 - Bruker and Nonius merged to form Bruker Nonius BV. Same addresses
in Delft and Karlsruhe. Still Bruker AXS Inc. in Madison. Also Bruker AXS Ltd
in Congleton.]

Bruker (2002). <i>SAINT</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2002). <i>SMART, SAINT, SHELXTL and SADABS</i>. Bruker AXS Inc., 
Madison, Wisconsin, USA.

Bruker (2003). <i>SMART and SAINT-Plus</i>. Bruker AXS Inc., Madison, 
Wisconsin, USA.

Bruker (2003). <i>SADABS, SAINT, SHELXTL and SMART</i>. Bruker AXS Inc., 
Madison, Wisconsin, USA.

Bruker (2004). <i>APEX2</i>. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2005). <i>APEX2</i>.Bruker AXS Inc., Madison, Wisconsin, USA.

Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F.,
McCabe, P., Pearson, J. & Taylor, R. (2002). <i>Acta Cryst.</i> B<b>58</b>,
389--397.
[<i>ConQuest</i> and <i>Mercury</i> software for searching the CSD]

Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell, W. D. S., Purkis,
L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris, S. E. & Orpen, A. G.
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Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., Polidori, G., Spagna,
R. & Viterbo, D. (1989). <i>J. Appl. Cryst.</i> <b>22</b>, 389--393.

Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
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[<i>SIR2000</i>]

Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C.,
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Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De
Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). 
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Busing, W. R., Martin, K. O. & Levy, H. A. (1962). <i>ORFLS</i>. Report
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Busing, W. R., Martin, K. O. & Levy, H. A. (1964). <i>ORFFE</i>. Report
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Busing, W. R., Martin, K. O., Levy, H. A., Brown, G. M., Johnson, C. K. &
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Camalli, M. & Spagna, R. (1994). <i>J. Appl. Cryst.</i> <b>27</b>, 861--862.
[<i>CAOS</i>]

Cambridge Structural Database (1989). Version 3.4. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (1992). Version 4.6. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (1998). Version 5.16. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (1999). Version 2.3.7. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (2000). Version 5.19. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (2002). Version 5.20. Cambridge Crystallographic
Data Centre, 12 Union Road, Cambridge, England.

Cambridge Structural Database (2001). <i>ConQuest</i>. Cambridge
Crystallographic Data Centre, 12 Union Road, Cambridge, England.

Carrell, H. L. (1976). <i>VIEW</i>. Institute for Cancer Research, Fox Chase
Cancer Center, Philadelphia, Pennsylvania, USA.
[Program for Molecular Graphics.]

Carruthers, J. R. & Watkin, D. J. (1979). <i>Acta Cryst.</i> A<b>35</b>,
698--699.
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Cason, C. J. (2002). <i>POV-Ray for Windows</i>. Persistence of Vision 
Raytracer Pty. Ltd, Victoria, Australia.

Cason, C. J. (2003). <i>POV-RAY</i>. Persistence of Vision Raytracer Pty. Ltd, 
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CCDC (2002). <i>Mercury</i>. Cambridge Crystallographic Data Centre, 12 Union 
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[NB As of 2003, there is a preferred reference in Acta B, the D/B issue from 
2002 - Bruno <i>et al.</i> (2002). <i>Acta Cryst.</i> B<b>58</b>, 389--397; 
see above] 
[NB As of 2006, there is a preferred reference in JAC, Macrae <i>et al.</i> See
below]

CCDC (2002). <i>enCIFer</i>. Cambridge Crystallographic Data Centre, 12 Union 
Road, Cambridge, England.

CCDC (2003). <i>enCIFer</i>. Cambridge Crystallographic Data Centre, 12 Union 
Road, Cambridge, England.

Chang, C.-S., DeTitta, G. T., Gallo, S. M., Hauptman, H. A., Jones, R., Khalak,
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Collaborative Computational Project, Number 4 (1994). <i>Acta Cryst.</i>
D<b>50</b>, 760--763.

Coppens, P., Leiserowitz, L. & Rabinovich, D. (1965). <i>Acta Cryst.</i>
<b>18</b>, 1035--1038.

Coppens, P. (1970). <i>Crystallographic Computing</i>, edited by F. R. Ahmed,
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Cosier, J. & Glazer, A. M. (1986). <i>J. Appl. Cryst.</i> <b>19</b>, 105--107.

Creagh, D. C. & McAuley, W. J. (1992). <i>International Tables for X-ray
Crystallography</i>, Vol. C, pp. 219--222. Dordrecht: Kluwer Academic 
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Cremer, D. & Pople, J. A. (1975). <i>J. Am. Chem. Soc.</i> <b>97</b>,
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Cromer, D. T. (1974). <i>International Tables for X-ray Crystallography</i>,
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distributor Kluwer Academic Publishers, Dordrecht.)

Cromer, D. T. & Liberman, D. (1970). <i>J. Chem. Phys.</i> <b>53</b>,
1891--1898.

Cromer, D. T. & Liberman, D. A. (1981). <i>Acta Cryst.</i> A<b>37</b>,
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Cromer, D. T. & Mann, J. B. (1968). <i>Acta Cryst.</i> A<b>24</b>, 321--324.

Cromer, D. T. & Waber, J. T. (1974). <i>International Tables for X-ray
Crystallography</i>, Vol. IV, Table 2.2A, pp. 72--98. Birmingham: Kynoch Press.
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Crystal Impact (1999). http://www.crystalimpact.com/endeavour
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CrystalMaker Software (2003). <i>CrystalMaker</i>. CrystalMaker Software, 
Bicester, Oxfordshire, England.
[Molecular graphics software. Preferred under author Palmer.]

<i>CSSR</i> (1980). <i>Crystal Structure Search and Retrieval Instruction
Manual</i>. SERC Daresbury Laboratory, Warrington, England.

<i>CSSR</i> (1984). <i>Crystal Structure Search and Retrieval Instruction
Manual</i>. SERC Daresbury Laboratory, Warrington, England.

Davies, K. (1983). <i>SNOOPI</i>. University of Oxford, England.
[Molecular Plotting Program.]

Debaerdemaeker, T., Germain, G., Main, P., Refaat, L. S., Tate, C. & Woolfson,
M. M. (1988). <i>MULTAN88</i>. Universities of York, England, and Louvain,
Belgium.
[A System of Computer Programs for the Automatic Solution of Crystal Structures 
from X-ray Diffraction Data.]

Desiraju, G. R. (1991). <i>Acc. Chem. Res.</i> <b>24</b>, 290--296.
[Types of hydrogen bonds]

Desiraju, G. R. (1995). <i>Angew. Chem. Int. Ed. Engl.</i> <b>34</b>,
2311--2327.
[Supramolecular synthons and hydrogen bonding]

Desiraju, G. R. (2001). <i>Nature (London)</i>, <b>412</b>, 397--400.
[Definitive hydrogen--bonding article]

Desiraju, G. R. & Steiner, T. (1999). <i>The Weak Hydrogen Bond in Structural
Chemistry and Biology</i>. New York: Oxford University Press Inc.

Desiraju, G. R. & Steiner, T. (1999). <i>The Weak Hydrogen Bond</i>, pp. ? or
ch. ?. Oxford University Press.

Dollase, W. A. (1986). <i>J. Appl. Cryst.</i> <b>19</b>, 267--272.
[Powder papers, March--Dollase orientation correction.]

Downs, R. T. & Hall-Wallace, M. (2003). <i>Am. Mineral.</i> <b>88</b>, 
247--250.
[<i>XtalDraw</i> software for polyhedral representations of inorganics]

Dowty, E. (1993). <i>ATOMS</i>. Shape Software, Kingsport, Tennessee, USA.

Dowty, E. (1994). <i>ATOMS for Windows</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (1995). <i>ATOMS for Windows</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (1997). <i>ATOMS for Windows</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (1998). <i>ATOMS for Macintosh</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (1999). <i>ATOMS for Macintosh</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (1999). <i>ATOMS for Windows and Macintosh</i>. Shape Software, 
Kingsport, Tennessee, USA.

Dowty, E. (2000). <i>ATOMS for Windows</i>. Shape Software, Kingsport, 
Tennessee, USA.

Dowty, E. (2002). <i>ATOMS for Windows</i>. Shape Software, Kingsport, 
Tennessee, USA.
[http://www.shapesoftware.com]

Dowty, E. (2003). <i>ATOMS</i>. Shape Software, Kingsport, Tennessee, USA. 
[http://www.shapesoftware.com]

Dowty, E. (2005). <i>ATOMS</i>. Shape Software, Kingsport, Tennessee, USA.

Dr\"ager, M. & Gattow, G. (1971). <i>Acta Chem. Scand.</i> <b>25</b>, 761.
Revised by L. Wiehl & D. Schollmeyer (1994). University of Mainz, Germany.
[CORINC. Cite as two refs]

DrugBank URL http://redpoll.pharmacy.ualberta.ca/drugbank
[See also Wishart et al. (2006) below. Compound codes of the form APRD00227]

Duax, W. L. & Norton, D. A. (1975). In <i>Atlas of Steroid Structures</i>. New
York: Plenum.

Duax, W. L., Weeks, C. M. & Rohrer, D. C. (1976). <i>Topics in
Stereochemistry</i>, Vol. 9, edited by E. L. Eliel & N. Allinger, pp.
271--383. New York: John Wiley.

Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003).
<i>J. Appl. Cryst.</i> <b>36</b>, 220--229.
[<i>EVALCCD</i> data reduction and cell refinement software for CCD data.]

Edwards, C., Gilmore, C. J., Mackay, S. & Stewart, N. (1995). <i>CRYSTANGM</i>.
MacScience, Japan.
[A Computer Program for the Solution and Refinement of Crystal Structures.]

Enraf--Nonius (1977). <i>CAD-4 Operations Manual</i>. Enraf--Nonius, Delft, The
Netherlands.

Enraf--Nonius (1979). <i>Structure Determination Package.</i> Enraf--Nonius,
Delft, The Netherlands.

Enraf--Nonius (1981). <i>CAD-4 Operations Software.</i> Enraf--Nonius, Delft, 
The Netherlands.

Enraf--Nonius (1985). <i>Structure Determination Package.</i> Enraf--Nonius,
Delft, The Netherlands.

Enraf--Nonius (1985). <i>Structure Determination Package SDP/PDP User's
Guide</i>. Enraf--Nonius, Delft, The Netherlands.

Enraf--Nonius (1988). <i>CAD-4 Manual.</i> Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1988). <i>CAD-4 VAX/PC Fortran System.</i> Enraf--Nonius,
Scientific Instruments Division, Delft, The Netherlands.
[Operator's Guide to the Enraf--Nonius CAD-4 Diffractometer Hardware, its
Software and the Operating System.]

Enraf--Nonius (1989). <i>CAD-4 Software</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1992). <i>CAD-4-PC Software</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1993). <i>CAD-4-PC Software</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1993). <i>CAD-4 Diffractometer Control Software</i>. 
Enraf--Nonius, Delft, The Netherlands.

Enraf--Nonius (1993). <i>CAD-4 EXPRESS</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1994). <i>CAD-4 ARGUS</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1994). <i>CAD-4 EXPRESS</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1995). <i>CAD-4 EXPRESS</i>. Enraf--Nonius, Delft, The 
Netherlands.

Enraf--Nonius (1995). <i>DIP2000 User Manual</i>. Enraf--Nonius, Delft, The
Netherlands.

Enraf--Nonius (1996). <i>CAD-4-PC Software</i>. Enraf--Nonius, Delft, The 
Netherlands.

[1998 or 1999 - Enraf--Nonius became Nonius.]

Erlebacher, J. & Carrell, H. L. (1992). <i>ICRVIEW</i>. Institute of Cancer
Research, Fox Chase Cancer Center, Philadelphia, Pennsylvania, USA.

Etter, M. C. (1990). <i>Acc. Chem. Res.</i> <b>23</b>, 120--126.
[Graph-set and hydrogen-bonding nomenclature]

Etter, M. C., MacDonald, J. C. & Bernstein, J. (1990). <i>Acta Cryst.</i>
B<b>46</b>, 256--262.
[Hydrogen bonding]

Evans, D. G. & Boeyens, J. C. A. (1989). <i>Acta Cryst.</i> B<b>45</b>, 
581--590.
[Conformational analysis of ring puckering, giving sinus and cosinus 
coefficients in %]

Fair, C. K. (1990). <i>MolEN</i>. Enraf--Nonius, Delft, The Netherlands.

Fair, J. (1991). <i>XSCANS</i>. ***Use Siemens (1991) ref for <i>XSCANS</i>.***

Fan, H.-F. (1991). <i>SAPI91</i>. Rigaku Corporation, Tokyo, Japan.
[Structure Analysis Program with Intelligent Control.]

Farrugia, L. J. (1997). <i>ORTEP-3 for Windows</i>. University of Glasgow, 
Scotland.

Farrugia, L. J. (1997). <i>J. Appl. Cryst.</i> <b>30</b>, 565. 
[<i>ORTEP-3</i>]

Farrugia, L. J. (1998). <i>WinGX</i>. University of Glasgow, Scotland.
[A Windows Program for Crystal Structure Analysis.]

Farrugia, L. J. (1998). <i>ORTEP32 for Windows</i>. University of Glasgow,
Scotland.
[A 32-bit implementation of <i>ORTEPIII</i> by Johnson & Burnett, Oak Ridge 
National Laboratory]

Farrugia, L. J. (1999). <i>J. Appl. Cryst.</i> <b>32</b>, 837--838. 
[<i>WinGX</i> incl. <i>ORTEPIII</i>]

Farrugia, L. J. (1999). <i>ORTEP-3 for Windows</i>. University of Glasgow, 
Scotland.

Farrugia, L. J. (1999). <i>WinGX</i>. University of Glasgow, Scotland.

Ferguson, G. (1998). <i>PREP8</i>. University of Guelph, Canada.

Ferguson, G. (1999). <i>PRPKAPPA</i>. University of Guelph, Canada.

Finger, L. & Kroeker, M. (1997). <i>DRAWXL</i>. Unpublished.
[A Program to Make Ball-and-Stick or Polyhedral Crystal Structure Drawings.]

Finger, L. & Kroeker, M. (1997). <i>DRAWxtl</i>. http://granite.ciw.edu/\\sim
finger/DRAWxtl.html
[A Program to Make Ball-and-Stick or Polyhedral Crystal Structure Drawings. 
Make sure tilde in URL comes out correctly]

Finger, L. & Kroeker, M. (1999). <i>DRAWxtl</i>. http://www.lwfinger.net/drawxtl

Fischer, R. X. (1982). <i>STRUPLO82</i>. University of Mainz, Germany.
[A Fortran Program for the Graphical Display of Crystal Structures.]

Flack, H. D. (1983). <i>Acta Cryst.</i> A<b>39</b>, 876--881.

Flack, H. D. & Bernardinelli, G. (1999). <i>Acta Cryst.</i> A<b>55</b>,
908--915.
[Inconclusive Flack parameters]

Flack, H. D. & Bernardinelli, G. (2000). <i>J. Appl. Cryst.</i> <b>33</b>,
1143--1148.
[Inconclusive Flack parameters]

Fletcher, D. A., McMeeking, R. F. & Parkin, D. (1996). <i>J. Chem. Inf. Comput.
Sci.</i> <b>36</b>, 746--749.
[EPSRC database at Daresbury]

Frenz, B. A. (1978). <i>The Enraf--Nonius CAD-4 SDP -- a Real-Time System
for Concurrent X-ray Data Collection and Crystal Structure Solution</i>. 
<i>Computing in Crystallography</i>, edited by H. Schenk, R. Olthof-Hazekamp, 
H. van Koningsveld & G. C. Bassi, pp. 64--71. Delft University Press.

Frenz, B. A. (1980). <i>Enraf--Nonius Structure Determination Package</i>. 
College Station, Texas, USA.

Frenz, B. A. (1983). <i>Enraf--Nonius Structure Determination Package SDP
User's Guide</i>. Enraf--Nonius, Delft, The Netherlands.

Frenz, B. A. (1985). <i>Enraf--Nonius SDP-Plus Structure Determination
Package</i>. Enraf--Nonius, Delft, The Netherlands.

Frenz, B. A. (1986). <i>Enraf--Nonius Structure Determination Package SDP
User's Guide</i>. Enraf--Nonius, Delft, The Netherlands.

Frenz, B. A. (1990). <i>Enraf--Nonius SDP-Plus Structure Determination
Package</i>. Enraf--Nonius, Delft, The Netherlands.

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G.,
Robb, M. A., Cheeseman, J. R., Keith, T. A., Petersson, G. A., Montgomery, J.
A., Raghavachari, K., Al-Laham, M. A., Zakrzewski, V. G., Ortiz, J. V.,
Foresman, J. B., Cioslowski, J., Stefanov, B. B., Nanayakkara, A.,
Challalcombe, M., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Andrews,
J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. L., Binkley, J.
S., Defrees, D. J., Baker, J., Stewart, J. P., Head-Gordon, M., Gonzalez, C. &
Pople, J. A. (1995). <i>GAUSSIAN94</i>. Gaussian Inc., Pittsburgh, 
Pennsylvania, USA.
[But shorten these 35 authors down to just Frisch, M. J. <i>et al.</i>]

Frisch, M. J. <i>et al.</i> (1995). <i>GAUSSIAN94</i>. Gaussian Inc., 
Pittsburgh, Pennsylvania, USA.

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A.,
Cheeseman, J. R., Zakrzewski, V. G., Montgomery, J. A. Jr, Stratmann, R. E.,
Burant, J. C., Dapprich, S., Millam, J. M., Daniels, A. D., Kudin, K. N.,
Strain, M. C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R.,
Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson,
G. A., Ayala, P. Y., Cui, Q., Morokuma, K., Malick, D. K., Rabuck, A. D.,
Raghavachari, K., Foresman, J. B., Cioslowski, J., Ortiz, J. V., Baboul, A.
G., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I.,
Gomperts, R., Martin, R. L., Fox, D. J., Keith, T., Al-Laham, M. A., Peng, C.
Y., Nanayakkara, A., Challacombe, M., Gill, P. M. W., Johnson, B., Chen, W.,
Wong, M. W., Andres, J. L., Gonzalez, C., Head-Gordon, M., Replogle, E. S. &
Pople, J. A. (1998). <i>GAUSSIAN98</i>. Gaussian Inc., Pittsburgh, 
Pennsylvania, USA.
[But shorten these 58 authors down to just Frisch, M. J. <i>et al.</i>; see 
format for 1995 reference]

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A.,
Cheeseman, J. R., Zakrzewski, V. G., Montgomery, J. A. Jr, Stratmann, R. E.,
Burant, J. C., Dapprich, S., Millam, J. M., Daniels, A. D., Kudin, K. N.,
Strain, M. C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R.,
Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson,
G. A., Ayala, P. Y., Cui, Q., Morokuma, K., Salvador, P., Dannenberg, J. J.,
Malick, D. K., Rabuck, A. D., Raghavachari, K., Foresman, J. B., Cioslowski,
J., Ortiz, J. V., Baboul, A. G., Stefanov, B. B., Liu, G., Liashenko, A.,
Piskorz, P., Komaromi, I., Gomperts, R., Martin, R. L., Fox, D. J., Keith, T.,
Al-Laham, M. A., Peng, C. Y., Nanayakkara, A., Challacombe, M., Gill, P. M.
W., Johnson, B., Chen, W., Wong, M. W., Andres, J. L., Gonzalez, C.,
Head-Gordon, M., Replogle, E. S. & Pople, J. A. (2001). <i>GAUSSIAN98</i>.
Gaussian Inc., Pittsburgh, Pennsylvania, USA.
[But shorten these 60 authors down to just Frisch, M. J. <i>et al.</i>; see 
format for 1995 reference]

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R.
Cheeseman, J. A. Montgomery Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M.
Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G.
Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K.
Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H.
Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J.
Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C.
Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador,
J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain,
O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V.
Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G.
Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith,
M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B.
Johnson, W. Chen, M. W. Wong, C. Gonzalez & J. A. Pople (2003).
<i>GAUSSIAN03</i>. Gaussian Inc., Pittsburgh, Pennsylvania, USA.
[But shorten all these authors down to just Frisch, M. J. <i>et al.</i>; see 
format for 1995 reference]

Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A.,
Cheeseman, J. R., Montgomery, J. A. Jr, Vreven, T., Kudin, K. N., Burant, J.
C., Millam, J. M., Ivyengar, S. S., Tomasi, J., Barone, V., Mennucci, B. 
<i>et al.</i> (2004). <i>GAUSSIAN03</i>. Gaussian Inc., Pittsburgh, 
Pennsylvania, USA.
[But shorten all these authors down to just Frisch, M. J. <i>et al.</i>; see 
format for 1995 reference]

Gabe, E. J., Le Page, Y., Charland, J.-P., Lee, F. L. & White, P. S. (1989). 
<i>J. Appl. Cryst.</it> <b>22</b>, 384--387.
[<i>NRCVAX</i>]

Ga\/ldecki, Z., Kowalski, A. & Uszy\'nski, L. (1995). <i>DATAPROC</i>. Kuma 
Diffraction, Wroc\/law, Poland.

Ga\/ldecki, Z., Kowalski, A., Kucharczyk, D. & Uszy\'nski, I. (1996). 
<i>KM4B8</i>. Kuma Diffraction, Wroc\/law, Poland.

Germain, G. & Main, P. (1971). <i>Acta Cryst.</i> A<b>27</b>, 368--376.

Gilli, G. (1977). <i>ABRAHAMS</i>. University of Ferrara, Italy.
[Program for Calculating Half-Normal Probability Plots.]

Gilmore, C. J. (1983). <i>MITHRIL</i>. Department of Chemistry, University of
Glasgow, Scotland.

Gilmore, C. J. (1984). <i>J. Appl. Cryst.</i> <b>17</b>, 42--46.

Gilmore, C. J. (1990). <i>MITHRIL</i>. Department of Chemistry, University of
Glasgow, Scotland.

Glendening, E. D., Reed, A. D., Carpenter, J. E. & Weinhold, F. (1993).
<i>NBO</i>. Theoretical Chemistry Institute, University of Wisconsin, Madison, 
Wisconsin, USA.
[Natural bond order software]

Example Gmelin reference: Gmelin (1958). <i>Gmelins Handbuch der Chemie</i>, 8th
edition, <i>Copper</i>, Part B, pp. 346--347. Weinheim: Verlag Chemie.

Gmelin (1969). <i>Gmelins Handbuch der anorganischen Chemie</i>, 8. Auflage, 34
<i>Quecksilber</i>, Teil B4, pp. 1094f. Weinheim: Verlag Chemie.

Gould, R. O., Taylor, P. & Thorpe, M. (1995). <i>PUCKER</i>. University of 
Edinburgh, Scotland.
[Program for the Calculation of Cremer & Pople Ring-puckering Parameters.]

Gould, R. O. & Smith, D. E. (1986). <i>CADABS</i>. University of Edinburgh,
Scotland.
[Program for CAD-4 Data Reduction.]

Hall, S. R. & du Boulay, D. (1995). <i>Xtal_GX</i>. University of Western 
Australia, Australia.

Hall, S. R., du Boulay, D. J. & Olthof-Hazekamp, R. (1999). Editors.
<i>Xtal3.6 Reference Manual</i>. University of Western Australia: Lamb, Perth.

Hall, S. R., du Boulay, D. J. & Olthof-Hazekamp, R. (2000). Editors.
<i>Xtal3.7 Reference Manual</i>. University of Western Australia: Lamb, Perth.

Hall, S. R. & Stewart, J. M. (1987). Editors. <i>Xtal2.2 User's Manual</i>.
Universities of Western Australia, Australia, and Maryland, USA.

Hall, S. R. & Stewart, J. M. (1988). Editors. <i>Xtal2.4 User's Manual</i>.
Universities of Western Australia, Australia, and Maryland, USA.

Hall, S. R. & Stewart, J. M. (1989). Editors. <i>Xtal2.6 User's Manual</i>.
Universities of Western Australia, Australia, and Maryland, USA.

Hall, S. R. & Stewart, J. M. (1990). Editors. <i>Xtal3.0 Reference Manual</i>.
Universities of Western Australia, Australia, and Maryland, USA.

Hall, S. R., Flack, H. D. & Stewart, J. M. (1992). Editors. <i>Xtal3.2
Reference Manual</i>. Universities of Western Australia, Australia, Geneva,
Switzerland, and Maryland, USA.

Hall, S. R., King, G. S. D. & Stewart, J. M. (1995). Editors. <i>Xtal3.4
User's Manual</i>. University of Western Australia: Lamb, Perth. 
[<i>Xtal3.5</i> also in 1995?]

[Or for programs within the <i>Xtal</i> system: Author (1995). </i>Program 
name</i>. <i>Xtal3.4 User's Manual</i>, edited by S. R. Hall, G. S. D. King & 
J. M. Stewart. University of Western Australia.]

Hamilton, W. C. (1959). <i>Acta Cryst.</i> <b>12</b>, 609--610.

Hamilton, W. C. (1965). <i>Acta Cryst.</i> <b>18</b>, 502--510.

Harms, K. (1995). <i>XCAD4</i>. University of Marburg, Germany.
[Program for the Lp Correction of Enraf--Nonius Four-Circle Diffractometer 
Data.]

Harms, K. & Wocadlo, S. (1995). <i>XCAD4</i>. University of Marburg, Germany.

Harms, K. & Wocadlo, S. (1996). <i>XCAD4</i>. University of Marburg, Germany.

Hazell, A. (1995). <i>KRYSTAL</i>. Aarhus University, Denmark.
[An Integrated System of Crystallographic Programs.]

Herrendorf, W. (1993). <i>HABITUS</i>. University of Karlsruhe, Germany.
[Programm zur Optimierung der Kristallgestalt f\"ur die numerische
Absorptionskorrektur anhand geeigneter \y-abgetasteter Reflexe.]

Higashi, T. (1995). <i>ABSCOR</i>. Rigaku Corporation, Tokyo, Japan.
[Empirical Absorption Correction based on Fourier Series Approximation. Also 
in 1999.]

Higashi, T. (1999). NUMABS. Rigaku Corporation, Tokyo, Japan.
[Absorption correction software]

Hooft, R. (1998). COLLECT. ***Use Nonius (1998). Also for 1999.***

Howie, R. A. (1980). <i>RDNIC</i>. University of Aberdeen, Scotland.
[Data Reduction Program for Nicolet <i>P</i>3 Diffractometer.]

Hypercube (1993). <i>CHEMPLUS: Extensions for HYPERCHEM</i>. Hypercube 
Inc., Waterloo, Ontario, Canada.

Hypercube (1995). <i>HYPERCHEM</i>. Hypercube Inc., Waterloo, Ontario, Canada.

Hypercube (2000). <i>HYPERCHEM</i>. Hypercube Inc., Gainsville, Florida, USA.

Hypercube (2005). <i>HYPERCHEM</i>. Hypercube Inc., Gainsville, Florida, USA.

Ibers, J. & Hamilton, W. C. (1964). <i>Acta Cryst.</i> <b>17</b>, 781--782.

Ibers, J. & Hamilton, W. C. (1984). <i>International Tables for X-ray
Crystallography</i>, Vol. IV. Birmingham: Kynoch Press. (Present distributor
Kluwer Academic Publishers, Dordrecht.)

ICDD (1999). <i>PCPDFWIN</i>. International Centre for Diffraction Data, 
Newtown Square, Pennsylvania, USA.

ICSD (2001). Inorganic Crystal Structure Database. FIZ-Karlsruhe, Germany. 
http://www.fiz-karlsruhe.de/fiz/products/icsd/welcome.html
[Tried on 24/4/06 and the link is no longer valid]

ICSD (2005). Inorganic Crystal Structure Database. FIZ-Karlsruhe, Germany, and 
the National Institute of Standards and Technology (NIST), USA. 
http://www.fiz-karlsruhe.de/ecid/Internet/en/DB/icsd/
[Tried on 3/8/07 and the link is no longer valid]

ICSD: working URL as at 3/8/07:
http://www.fiz-karlsruhe.de/icsd.html

Ito, T. & Sugawara, Y. (1983). <i>BP7C</i>. Research Institute for Physics and
Chemistry, Wako-Shi, Saitama, Japan.
[Best Planes Program.]

IUPAC--IUB Commission on Biochemical Nomenclature (1968). 
<i>Biochemistry</i>, <b>7</b>, 2703.
[One-letter notation for amino acid sequences]

IUPAC--IUB Commission on Biochemical Nomenclature (1970). <i>J. Mol. Biol.</i>
<b>52</b>, 1--17.
[Steroids]

IUPAC--IUB Commission on Biochemical Nomenclature (1970). <i>Biochemistry</i>, 
<b>9</b>, 3471--3479.
[Peptides]

IUPAC--IUB Joint Commission on Biochemical Nomenclature (1983). <i>Pure Appl.
Chem.</i> <b>55</b>, 1273--1280.

IUPAC--IUB Joint Commission on Biochemical Nomenclature (1983). <i>Eur. J.
Biochem.</i> <b>131</b>, 9--15.
[Nucleosides, including purine numbering]

IUPAC--IUBMB Joint Commission on Biochemical Nomenclature (1996). 
<i>Nomenclature of Carbohydrates<i>. (Recommendations 1996). 
http://www.chem.qmw.ac.uk/iupac/2carb/
[Carbohydrates including sugars]

Jacobson, R. A. (1986). <i>J. Appl. Cryst.</i> <b>19</b>, 283--286. 
[<i>PEAKS</i>]

Jacobson, R. (1998). Private communication to Rigaku Corporation, Tokyo, Japan.
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Janiak, C. (2000). <i>J. Chem. Soc. Dalton Trans.</i> pp. 3885--3896.
[\p--\p interactions and edge-to-face C---H...\p interactions, and definitions 
of interplanar distances, slippage angles etc.]

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[Openwindows Version (1991) of Norimasa Yamazaki, Tokyo, Japan.]

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Johnson, C. K. (1971). <i>ORTEPII</i>. Report ORNL-3794, revised. Oak Ridge
National Laboratory, Tennessee, USA.

Johnson, C. K. (1976). <i>ORTEPII</i>. Report ORNL-5138. Oak Ridge National
Laboratory, Tennessee, USA.

Johnson, C. K. (1977). <i>ORTEPII</i>. Report ORNL-5138. Oak Ridge National
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Johnson, C. K. (1995). <i>ORTEP</i>. In <i>Xtal_GX</i>, edited by S. R. Hall & 
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Johnson, C. K. & Burnett, M. N. (1996). <i>ORTEPIII</i>. Report ORNL-6895. Oak
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[Program for FAST Data Processing.]

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Keller, E. (1992). <i>SCHAKAL92</i>. University of Freiburg, Germany.
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Keller, E. & Pierrard, J.-S. (1999). <i>SCHAKAL99</i>. University of Freiburg,
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[A Fortran Program for the Graphical Representation of Molecular and
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Kretschmar, M. (1996). <i>CAD-4-PC</i>. University of T\"ubingen, Germany.
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Kuma Diffraction (1991). <i>KM-4 User's Guide</i>. Kuma Diffraction, Wroc\/law, 
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Kuma Diffraction (1995). <i>KM-4 Software</i>. Kuma Diffraction, Wroc\/law, 
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Kuma Diffraction (1997). <i>Kuma Diffraction Software</i>. Kuma Diffraction, 
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Kuma Diffraction (1999). <i>KM-4 CCD Software</i>. Kuma Diffraction, Wroc\/law, 
Poland.

Kuma Diffraction (2000). <i>KM-4 CCD Software</i>. Kuma Diffraction, Wroc\/law, 
Poland.

Kuma Diffraction (2001). <i>KM-4 CCD Software</i>. Kuma Diffraction, Wroc\/law, 
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[June 2001 - Oxford Instruments and Kuma Diffraction merged to form Oxford 
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Larson, A. C., Lee, F. L., Le Page, Y., Webster, M., Charland, J.-P. & Gabe, 
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Le Page, Y. (1988). <i>J. Appl. Cryst.</i> <b>21</b>, 983--984.

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McArdle, P. (2003). <i>OSCAIL for Windows</i>. Crystallography Centre, 
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McArdle, P. (2005). <i>OSCAIL-X for Windows</i>. Crystallography Centre, 
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Mac\'i\<cek, J. (1992). <i>KAPPA</i>. Bulgarian Academy of Sciences, Sofia,
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Mackay, S., Gilmore, C. J., Edwards, C., Tremayne, M., Stewart, N. & Shankland,
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Mackay, S., Gilmore, C. J., Edwards, C., Stewart, N. & Shankland, K. (1999).
<i>MAXUS</i>. Nonius BV, Delft, The Netherlands, MacScience Co. Ltd, Japan,
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[Computer Program for the Solution and Refinement of Crystal Structures.]

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K. & Donald, A. (2000). <i>MAXUS</i>. University of Glasgow, Scotland,
MacScience Co., Yokohama, Japan, and Nonius BV, Delft, The Netherlands.

Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., 
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[Newest ref for Mercury software]

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MacScience Co. Ltd (1989). <i>XPRESS</i>. MacScience Co. Ltd, Yokohama, 
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[Program for <i>DIP2000</i> data collection.]

MacScience Corporation (1994). <i>MXC Software</i>. MacScience Corporation, 
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[Software for MXC3 diffractometer.]

Main, P., Fiske, S. J., Hull, S. E., Lessinger, L., Germain, G., Declercq,
J.-P. & Woolfson, M. M. (1980). <i>MULTAN80</i>. Universities of York,
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Main, P., Fiske, S. J., Hull, S. E., Lessinger, L., Germain, G., Declercq,
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Main, P., Germain, G. & Woolfson, M. M. (1984). <i>MULTAN11/84</i>.
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[A System of Computer Programs for the Automatic Solution of Crystal 
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Main, P., Lessinger, L., Woolfson, M. M., Germain, G. & Declercq, J.-P. (1977).
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[A System of Computer Programs for the Automatic Solution of Crystal Structures 
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Mallinson, P. R. & Muir, K. W. (1985). <i>J. Appl. Cryst.</i> <b>18</b>,
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Martinez-Ripoll, M. & Cano, F. H. (1975). <i>PECOS Program</i>. Instituto 
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McLaughlin, G. M. (1983). <i>PWREDU</i>. Australian National University,
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[Program for Data Reduction for Philips PW1100/20 Diffractometer.]

Materials Data (2003). <i>JADE</i>. Materials Data Inc., Livermore, California, 
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[Comparison of observed and calculated powder X-ray diffraction patterns.]

Meulenaer, J. de & Tompa, H. (1965). <i>Acta Cryst.</i> <b>19</b>, 1014--1018.
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Miller, R., Gallo, S. M., Khalak, H. G. & Weeks, C. M. (1994). <i>J. Appl.
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Molecular Simulations (1999). <i>Cerius^2^</i>. Molecular Simulations Inc., 
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Molecular Structure Corporation (1985). <i>TEXSAN</i>. MSC, The Woodlands, 
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[<i>TEXRAY</i> Structure Analysis Package.]

Molecular Structure Corporation (1988). <i>MSC/AFC Diffractometer Control
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Molecular Structure Corporation (1989). <i>TEXSAN</i>. MSC, The Woodlands, 
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[Single Crystal Structure Analysis Software.]

Molecular Structure Corporation (1992). <i>MSC/AFC Diffractometer Control
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Molecular Structure Corporation (1993). <i>MSC/AFC Diffractometer Control
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Molecular Structure Corporation (1993). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1994). <i>MSC/AFC Diffractometer Control
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Molecular Structure Corporation (1994). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1995). <i>BIOTEX</i>. MSC, The Woodlands, 
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[A Suite of Programs for the Collection, Reduction and Interpretation of 
Imaging-Plate Data.]

Molecular Structure Corporation (1995). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1997). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1997). <i>TEXSAN for Windows</i>. MSC, The 
Woodlands, Texas, USA.

Molecular Structure Corporation (1997). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1997). <i>d*TREK</i>. MSC, The Woodlands, 
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[Area Detector Software.]

Molecular Structure Corporation (1998). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (1999). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation (2000). <i>TEXSAN</i>. MSC, The Woodlands, 
Texas, USA.

Molecular Structure Corporation & Rigaku (2000). <i>TEXSAN</i>. MSC, The 
Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

Molecular Structure Corporation & Rigaku (2001). <i>CrystalClear</i>. MSC, The 
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[Rigaku R-AXIS, and Mercury and Jupiter CCD Automated X-ray Imaging Systems.]

Molecular Structure Corporation & Rigaku (2001). <i>CrystalStructure</i>.
MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

Molecular Structure Corporation & Rigaku (2002). <i>CrystalStructure</i>.
MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

Molecular Structure Corporation & Rigaku (2003). <i>CrystalStructure</i>.
MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

Molecular Structure Corporation & Rigaku (2004). <i>TEXSAN</i>. MSC, The 
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Motherwell, W. D. S. & Clegg, W. (1976). <i>PLUTO</i>. University of Cambridge,
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[Program for Plotting Molecular and Crystal Structures.]

Motherwell, W. D. S. & Clegg, W. (1978). <i>PLUTO</i>. University of Cambridge,
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Nardelli, M. (1982). <i>PARST</i>. University of Parma, Italy.
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Nardelli, M. (1983). <i>Comput. Chem.</i> <b>7</b>, 95--98.

Nardelli, M. (1983). <i>Acta Cryst.</i> C<b>39</b>, 1141--1142. 
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Nardelli, M. (1988). <i>ROTENER</i>. University of Parma, Italy.
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Nardelli, M. (1991). <i>ATOMCHAR</i>. University of Parma, Italy.
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Nardelli, M. (1992). <i>PARSTCIF</i>. University of Parma, Italy.
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Nardelli, M. (1993). <i>SPHERABS</i>. University of Parma, Italy.
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Nardelli, M. (1999). <i>J. Appl. Cryst.</i> <b>32</b>, 563--571. 
[<i>HYDROGEN</i>]

Nardelli, M. (1997). <i>CYLABS</i>. University of Parma, Italy.
[Program for Cylindrical Absorption Correction.]

Nemoto, T. & Ohashi, Y. (1993). <i>SV</i>. Tokyo Institute of Technology, Japan.
[Program for Crystal and Molecular Graphics.]

Nicolet (1980). <i>R3m Software</i>. Nicolet XRD Corporation, Cupertino, 
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Nicolet Instrument Corporation (1986). <i>SHELXTL for Desktop 30 
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Nicolet (1987). <i>P3 Software</i>. Nicolet Analytical X-ray Instruments, 
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Nonius (1997). <i>KappaCCD Server Software for Windows</i>. Nonius BV, Delft, 
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Nonius (1997). <i>OpenMolEN</i>. Nonius BV, Delft, The Netherlands.
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Nonius (1998). <i>COLLECT</i>. Nonius BV, Delft, The Netherlands.

Nonius (1999). <i>COLLECT</i>. Nonius BV, Delft, The Netherlands.

[April 2001 - Bruker and Nonius merged to form Bruker Nonius. Same addresses in
Delft, Karlsruhe and Madison.]

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NRC Crystallographic Programs for the IBM360 System (1973). Accession Nos.
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O'Keeffe, M. & Brese, N. E. (1992). <i>Acta Cryst.</i> B<b>48</b>, 152--154.
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Olthof-Hazekamp, R. (1990). <i>CRYLSQ</i>. In <i>Xtal3.0 Reference Manual</i>,
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(1989). <i>J. Chem. Soc. Dalton Trans.</i> pp. S1--83.
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Orpen, A. G., Brammer, L., Allen, F. H., Kennard, O., Watson, D. G. & Taylor,
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[Software Package for Data Reduction, Integration and Scaling.]

Otwinowski, Z. & Minor, W. (1997). <i>Methods in Enzymology</i>, Vol. 276,
<i>Macromolecular Crystallography</i>, Part A, edited by C. W. Carter Jr & R. M.
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["Processing of X-ray Diffraction Data Collected in Oscillation Mode"; 
<i>HKL</i> <i>DENZO-SMN</i> and <i>SCALEPACK</i>. Can also be cited as a 
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Otwinowski, Z. & Minor, W. (1997). <i>Methods Enzymol.</i> 276, 307--326.
[Can also be cited as a book]

[June 2001 - Oxford Instruments and Kuma Diffraction merged to form Oxford
Diffraction. Same addresses in UK (Abingdon, Oxfordshire), Poland (Wroc\/law), 
Germany (K\"oln) and the US (Concord, Massachusetts).]

Oxford Diffraction (2002). <i>CrysAlis CCD and CrysAlis RED</i>. Oxford 
Diffraction Ltd, Abingdon, England.

Oxford Diffraction (2003). <i>CrysAlis CCD and CrysAlis RED</i>. Oxford 
Diffraction Ltd, Abingdon, Oxford, England.

Oxford Diffraction (2003). <i>KM-4 CCD Software</i>. Oxford Diffraction Poland, 
Wroc\/law, Poland.

Oxford Diffraction (2004). <i>CrysAlisRED</i>. Oxford Diffraction Ltd, 
Abingdon, Oxford, England.

Oxford Diffraction (2006). <i>CrysAlisCCD and CrysAlisRED</i>. Oxford 
Diffraction Ltd, Abingdon, Oxford, England.

Oxford Diffraction (2006). <i>CrysAlisCCD and CrysAlisRED, including 
ABSPACK</i>. Oxford Diffraction Ltd, Abingdon, Oxford, England.

Oxford Diffraction (2006). <i>CrysAlisCCD and CrysAlisRED</i>. Oxford 
Diffraction Ltd, Abingdon, Oxford, England.

Oxford Diffraction (2007). <i>CrysAlisPro</i>. Oxford Diffraction Ltd, 
Abingdon, Oxfordshire, England.

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Bicester, Oxfordshire, England.
[Molecular graphics software. Preferred as author Palmer, but also under author 
CrystalMaker Software.]

Palmer, D. (2004). <i>CrystalMaker</i>. CrystalMaker Software Ltd, Yarnton, 
Oxfordshire, England.

Palmer, D. (2005). <i>CrystalMaker</i>. CrystalMaker Software Ltd, Yarnton, 
Oxfordshire, England.

Pavel\<c\'ik, F. (1987). <i>XP21</i>. Comenius University, Bratislava,
Slovakia.
[Program for Syntex P2~1~ Data Reduction.]

Pavel\<c\'ik, F. (1993). <i>XP21</i>. Comenius University, Bratislava,
Slovakia.
[Program for Syntex P2~1~ Data Reduction.]

Pavel\<c\'ik, F., Rizzoli, C. & Andreeti, G. D. (1990). <i>XFPS for MS-DOS</i>. 
Comenius University, Bratislava, Slovakia, and University of Parma, Italy.
[A Program for Automatic Structure Determination by Fourier, Patterson and 
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Pauling, L. (1942). <i>The Nature of the Chemical Bond</i>. Ithaca: Cornell 
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Pauling, L. (1948). <i>The Nature of the Chemical Bond<i>, 2nd ed. Ithaca: 
Cornell University Press.

Pauling, L. (1960). <i>The Nature of the Chemical Bond</i>, 3rd ed. Ithaca: 
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Pearce, L. J. & Watkin, D. J. (1993). <i>CAMERON</i>. Chemical Crystallography
Laboratory, University of Oxford, England.
[Program for Plotting Molecular Structures.]

Pearce, L., Watkin, D. J. & Prout, C. K. (1992). <i>CAMERON</i>. Chemical
Crystallography Laboratory, University of Oxford, England. 
[Program for Plotting Molecular Structures.]

Pennington, W. T. (1999). <i>J. Appl. Cryst.</i> <b>32</b>, 1028--1029. 
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P\`epe, G. (1979). <i>DATARED</i>. CRMC2 CNRS, Marseille, France.
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Pet\<r\'i\<cek, V. & Du\<sek, M. (1998). <i>JANA98</i>. Institute of Physics, 
Czech Academy of Sciences, Prague, Czech Republic.

Pet\<r\'i\<cek, V. & Du\<sek, M. (2000). <i>JANA2000</i>. Institute of Physics, 
Czech Academy of Sciences, Prague, Czech Republic.
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Pflugrath, J. W. & Messerschmidt, A. (1989). <i>MADNES</i>. Delft Instruments, 
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[<i>ENDEAVOUR</i> powder diffraction solution and molecular graphics software]

Reibenspies, J. (1989). <i>DATCOR</i>. Texas A&M University, USA.

Reibenspies, J. H. (1992). <i>REFRED</i>. Texas A&M University, College
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Riche, C. (1989). <i>NONIUS</i>. Institut de Chimie des Substances Naturelles 
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Riche, C. (1992). <i>ACTACIF</i>. Institut de Chimie des Substances Naturelles
du CNRS, Gif-sur-Yvette, France.

Rigaku (1985). <i>AFD</i>. Rigaku Corporation, Tokyo, Japan.
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Rigaku (1985). <i>RCRYSTAN</i>. Rigaku Corporation, Tokyo, Japan.
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Rigaku (1985). <i>Rigaku/AFC Diffractometer Control Software</i>. Rigaku 
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Rigaku (1995). <i>Rigaku/AFC Diffractometer Control Software</i>. Rigaku 
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Rigaku (1996). <i>PROCESS</i>. Rigaku Corporation, Tokyo, Japan.
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Rigaku (1998). <i>PROCESS-AUTO</i>. Rigaku Corporation, Tokyo, Japan.
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Rigaku (1999). <i>RAPID-AUTO Manual No. MJ13159A01</i>. Rigaku Corporation, 
Tokyo, Japan.
[Control program for Rigaku R-AXIS Rapid.]

Rigaku (1999). <i>WinAFC Diffractometer Control Software</i>. Rigaku 
Corporation, Tokyo, Japan.

Rigaku (1999). <i>TEXSAN</i>. Rigaku Corporation, Tokyo, Japan.

Rigaku (2001). <i>CrystalClear and CrystalStructure</i>. Rigaku Corporation, 
Tokyo, Japan.
[<i>CrystalClear</i> is the control software for the Rigaku MercuryCCD
diffractometer. <i>CrystalStructure</i> is the analysis software.]

Rigaku (2002). <i>CrystalClear</i>. Rigaku Corporation, Tokyo, Japan.

Rigaku/MSC (2002). <i>CrystalStructure</i>. Rigaku/MSC, The Woodlands, Texas, 
USA.

Rigaku/MSC (2004). <i>CrystalStructure</i>. Rigaku/MSC, The Woodlands, Texas, 
USA.

Rigaku (2005). <i>CrystalStructure</i>. Rigaku Americas Corporation, The 
Woodlands, Texas, USA.

Rigaku (2006). <i>SCXmini Benchtop Crystallography System Software</i>. 
Rigaku Americas Corporation, The Woodlands, Texas, USA.

Robinson, W. T. & Sheldrick, G. M. (1988). <i>SHELXS86</i>. <i>Crystallographic
Computing 4</i>, edited by N. W. Isaacs & M. R. Taylor, pp. 366--377. Oxford
University Press.

Rodr\'iguez-Carvajal, J. (1990). <i>FULLPROF</i>. <i>Abstracts of the Satellite 
Meeting on Powder Diffraction of the XV Congress of the IUCr</i>, p. 127, 
Toulouse, France.
[The program is a strongly modified version of that described by Wiles, D. B. & 
Young, R. A. (1981), <i>J. Appl. Cryst.</i> <b>14</b>, 149--151. (cnor a20484). 
Cite as two references]

Rogers, D. (1981). <i>Acta Cryst.</i> A<b>37</b>, 734--741.

Sack, J. S. (1988). <i>J. Mol. Graphics</i>, <b>6</b>, 224--225.
[<i>CHAIN</i> molecular graphics software.]

Sakurai, T. (1987). Editor. <i>Universal Crystallographic Computation Program
System</i>. The Crystallographic Society of Japan, Tokyo, Japan.

Sakurai, T. & Kobayashi, K. (1979). <i>Rikagaku Kenkyusho Hokoku</i>, 
<b>55</b>, 69--77.

Schagen, J. D., Straver, L., van Meurs, F. & Williams, G. (1989). <i>CAD-4 
Manual</i>. Enraf--Nonius, Delft, The Netherlands.

Schomaker, V. & Trueblood, K. N. (1968). <i>Acta Cryst.</i> B<b>24</b>, 63--76.

Shannon, R. D. (1976). <i>Acta Cryst.</i> A<b>32</b>, 751--767.
[Ionic radii.]

Sheldrick, G. M. (1976). <i>SHELX76</i>. University of Cambridge, England.
[Program for Crystal Structure Determination.]

Sheldrick, G. M. (1978). <i>SHELXTL</i>. University of G\"ottingen, Germany.
[An Integrated System for Solving, Refining and Displaying Crystal Structures
from Diffraction Data.]

Sheldrick, G. M. (1981). <i>Nicolet SHELXTL Operations Manual</i>. Nicolet XRD 
Corporation, Cupertino, California, USA.

Sheldrick, G. M. (1983). <i>SHELXTL User's Manual</i>. Nicolet XRD Corporation, 
Madison, Wisconsin, USA.

Sheldrick, G. M. (1984). <i>SHELXTL User's Manual</i>. Nicolet XRD Corporation, 
Madison, Wisconsin, USA.

Sheldrick, G. M. (1985). <i>SHELXS86</i>. University of G\"ottingen, Germany.
[Program for the Solution of Crystal Structures.]

Sheldrick, G. M. (1985). <i>SHELXS86</i>. <i>Crystallographic Computing 3</i>, 
edited by G. M. Sheldrick, C. Kr\"uger & R. Goddard, pp. 175--189. 
Oxford University Press.

Sheldrick, G. M. (1985). <i>SHELXTL User's Manual</i>. Nicolet XRD Corporation, 
Madison, Wisconsin, USA.

Sheldrick, G. M. (1987). <i>SHELXTL-Plus for PC</i>. Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1987). <i>SHELXTL-Plus for Nicolet R3m/V crystallographic 
system</i>. Nicolet Instrument Corporation, Madison, Wisconsin, USA.

Sheldrick, G. M. (1988). <i>SHELXTL-Plus88 Structure Determination 
Programs</i>. Nicolet Instrument Corporation, Madison, Wisconsin, USA.

Sheldrick, G. M. (1990). <i>Acta Cryst.</i> A<b>46</b>, 467--473. 
[<i>SHELXS86</i>]

Sheldrick, G. M. (1990). <i>SHELXTL/PC</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1990). <i>SHELXTL/PC User's Manual</i>. Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1990). <i>SHELXTL-Plus</i>. Siemens Analytical X-ray
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1991). <i>SHELXTL/PC</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1991). <i>SHELXTL-Plus</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1993). <i>SHELXL93</i>. University of G\"ottingen, Germany.
[Program for the Refinement of Crystal Structures.]

Sheldrick, G. M. (1994). <i>SHELXTL-Plus for PC</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1994). <i>SHELXTL/PC</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1995). <i>SHELXTL</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Structure Determination Programs.]

Sheldrick, G. M. (1995). <i>SHELXTL</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1995). <i>SADABS</i>. University of G\"ottingen, Germany.
[Based on the method of Blessing (1995). Program for Empirical Absorption 
Correction.]

Sheldrick, G. M. (1996). <i>SADABS</i>. University of G\"ottingen, Germany.
[Program for Absorption Corrections.]

Sheldrick, G. M. (1996). <i>SHELXL93</i>. University of G\"ottingen, Germany.
[Program for the Refinement of Crystal Structures.]

Sheldrick, G. M. (1997). <i>SHELXL97</i>. University of G\"ottingen, Germany.
[Program for the Refinement of Crystal Structures.]

Sheldrick, G. M. (1997). <i>SHELXL97</i>. University of G\"ottingen, Germany.
[Program for the Refinement of Crystal Structures.]

Sheldrick, G. M. (1997). <i>SHELXL97</i>. University of G\"ottingen, Germany.

Sheldrick, G. M. (1997). <i>SHELXS97</i> and <i>SHELXL97</i>. University of
G\"ottingen, Germany.

Sheldrick, G. M. (1997). <i>SHELXTL</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.
[Structure Determination Programs.]

Sheldrick, G. M. (1997). <i>SHELXTL</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (2000). <i>SHELXTL for DOS/Windows/NT</i>. Bruker AXS Inc., 
Madison, Wisconsin, USA.

Sheldrick, G. M. (2001). <i>SHELXTL</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Sheldrick, G. M. (2001). <i>SADABS</i>. University of G\"ottingen, Germany.

Sheldrick, G. M. (2002). <i>SADABS</i>. University of G\"ottingen, Germany.

Sheldrick, G. M. (2003). <i>SADABS</i>. University of G\"ottingen, Germany.

Sheldrick, G. M. (2003). <i>SADABS</i>. University of G\"ottingen, Germany.

Sheldrick, G. M. (2003). <i>SHELXTL</i>. Bruker AXS Inc., Madison, Wisconsin, 
USA.

Siemens (1989). <i>Stereochemical Workstation Operation Manual</i>. Siemens 
Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.

Siemens (1989). <i>P3/PC Diffractometer Program</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Siemens (1989). <i>XDISK</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.
[Data Reduction Program.]

Siemens (1989). <i>XEMP</i>. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.
[Empirical Absorption Correction Program.]

Siemens (1990). <i>P3 Diffractometer Control Program</i>. Siemens Analytical 
X-ray Instruments Inc., Madison, Wisconsin, USA.

Siemens (1990). <i>R3m Software</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.

Siemens (1990). <i>XP</i>. Siemens Analytical X-ray Instruments Inc., 
Karlsruhe, Germany.

Siemens (1990). <i>SHELXTL/PC</i>. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.
[Program Package for the Solution, Refinement and Graphical Presentation of 
Crystal Structures.]

Siemens (1991). <i>XSCANS User's Manual</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Siemens (1991). <i>P3/P4-PC Diffractometer Program</i>. Siemens Analytical 
X-ray Instruments, Inc., Madison, Wisconsin, USA.

Siemens (1991). <i>XDISK</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.
[Data Reduction Program]

Siemens (1993). <i>XSCANS User's Manual</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Siemens (1993). <i>P3/PC</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.
[Data Collection Software for the P3/PC System.]

Siemens (1993). <i>SOCABIM in DIFFRAC/AT</i>. Siemens Analytical X-ray 
Instruments Inc., Madison, Wisconsin, USA.

Siemens (1994). <i>SMART Software Reference Manual</i>. Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin, USA.

Siemens (1994). <i>SHELXTL</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.

Siemens (1994). <i>XP</i>. Siemens Analytical X-ray Instruments Inc., Madison, 
Wisconsin, USA.
[Molecular Graphics Program.]

Siemens (1994). <i>XSCANS</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.
[X-ray Single-Crystal Analysis System.]

Siemens (1995). <i>SHELXTL</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.

Siemens (1995). <i>SMART</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.

Siemens (1995). <i>SAINT</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.

Siemens (1995). <i>SMART and SAINT</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.

Siemens (1995). <i>SHELXTL for VMS</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.

Siemens (1995). <i>SHELXTL for PC</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Program Library for Structure Solution and Molecular Graphics.]

Siemens (1995). <i>ASTRO and SAINT</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Data Collection and Processing Software for the SMART System.]

Siemens (1996). <i>XSCANS</i>. Siemens Analytical X-ray Instruments Inc., 
Madison, Wisconsin, USA.
[X-ray Single Crystal Analysis Software.]

Siemens (1996). <i>XPREP in SHELXTL</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Program for Data Preparation and Reciprocal Space Exploration.]

Siemens (1996). <i>XP in SHELXTL</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Molecular Graphics Program.]

Siemens (1996). <i>SMART and SAINT</i>. Siemens Analytical X-ray Instruments 
Inc., Madison, Wisconsin, USA.
[Area Detector Control and Integration Software.]

[For Siemens post-1997, see Bruker AXS Inc.]

Solans, X. (1978). <i>CFEO</i>. University of Barcelona, Spain.

Soose, J. (1980). <i>SOS</i>. University of Gie\&sen, Germany.
[Programme zur Auswertung von Guinier-Aufnahmen.]

Spek, A. L. (1982). <i>The EUCLID Package</i>. <i>Computational 
Crystallography</i>, edited by D. Sayre, p. 528. Oxford: Clarendon Press.

Spek, A. L. (1988). <i>J. Appl. Cryst.</i> <b>21</b>, 578--579.

Spek, A. L. (1990). <i>Acta Cryst.</i> A<b>46</b>, C34.

Spek, A. L. (1990). <i>HELENA</i>. Laboratorium voor Kristal- en
Structuurchemie, University of Utrecht, The Netherlands.
[Program for Data Reduction.]

Spek, A. L. (1991). <i>PLUTON</i>. University of Utrecht, The Netherlands.
[Molecular Graphics Program.]

Spek, A. L. (1992). <i>PLUTON92</i>. University of Utrecht, The Netherlands.
[Molecular Graphics Program.]

Spek, A. L. (1994). <i>PLATON94</i>. University of Utrecht, The Netherlands.
[Program for the Automated Analysis of Molecular Geometry.]

Spek, A. L. (1996). <i>HELENA</i>. University of Utrecht, The Netherlands.
[Program for Reduction of CAD-4 Data.]

Spek, A. L. (1997). <i>PLATON</i>. University of Utrecht, The Netherlands. 
[Molecular Geometry Program.]

Spek, A. L. (1999). <i>PLATON</i>. University of Utrecht, The Netherlands. 
[Molecular Geometry and Graphics Program.]

Spek, A. L. (2002). <i>PLATON</i>. University of Utrecht, The Netherlands. 
[Molecular Geometry and Graphics Program.]

As of 2003, the preferred reference is: 
Spek, A. L. (2003). <i>J. Appl. Cryst.</i> <b>36</b>, 7--13.

Stardent Computer Inc. (1990). <i>ACV</i>. Stardent Computer Inc., Mewton,
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[Application Chemistry Viewer.]

Steiner, T. (1997). <i>J. Chem. Soc. Chem. Commun.</i> pp. 727--734.
[Hydrogen-bonding definitions.]

Steiner, T. (2002). <i>Angew. Chem. Int. Ed.</i> <b>41</b>, 48--76.
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Steiner, T. & Desiraju, G. R. (1998). <i>Chem. Commun.</i> pp. 891--892. 
[Hydrogen-bonding geometries.]

Stewart, J. M. (1978). Editor. <i>The XRAY System of Crystallographic
Programs</i>. Technical Report TR-446. Computer Science Center, University of
Maryland, College Park, Maryland, USA.

Stewart, J. J. P. (1990). <i>MOPAC6.0</i>. Frank J. Seiler Research Laboratory, 
US Air Force Academy, Colorado, USA.

Stewart, J. J. (1990). <i>J. Comput. Aided Mol. Des.</i> <b>4</b>, 1--105.
[MOPAC: a semiempirical molecular orbital program.]

Stewart, R. F., Davidson, E. R. & Simpson, W. T. (1965). <i>J. Chem. Phys.</i>
<b>42</b>, 3175--3187.

Stewart, J. M. & Hall, S. R. (1983). Editors. <i>The Xtal System of
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Center, University of Maryland, College Park, Maryland, USA.

Stewart, J. M. & Hall, S. R. (1983). Editors. <i>The Xtal System of
Crystallographic Programs</i>. Technical Report TR-1364.2. Computer Science
Center, University of Maryland, College Park, Maryland, USA.

Stewart, J. M., Kruger, G. J., Ammon, H. L., Dickinson, C. W. & Hall, S. R.
(1972). <i>The XRAY72 System</i>. Technical Report TR-192. Computer Science 
Center, University of Maryland, College Park, Maryland, USA.

Stewart, J. M., Kundell, F. A. & Baldwin, J. C. (1980). <i>The XRAY80
System</i>. Computer Science Center, University of Maryland, College Park,
Maryland, USA.

Stewart, J. M., Machin, P. A., Dickinson, C. W., Ammon, H. L., Heck, H. &
Flack, H. (1976). <i>The XRAY76 System</i>. Technical Report TR-446. Computer
Science Center, University of Maryland, College Park, Maryland, USA.

Stoe & Cie (1988). <i>DIF4</i>. Stoe & Cie, Darmstadt, Germany.
[Diffractometer Control Program.]

Stoe & Cie (1988). <i>EMPIR</i>. Stoe & Cie, Darmstadt, Germany.
[Empirical Absorption Correction Program.]

Stoe & Cie (1988). <i>REDU4</i>. Stoe & Cie, Darmstadt, Germany.
[Data Reduction Program.]

Stoe & Cie (1990). <i>DIF4</i>. Stoe & Cie, Darmstadt, Germany.
[Diffractometer Control Program.]

Stoe & Cie (1990). <i>REDU4</i>. Stoe & Cie, Darmstadt, Germany.
[Data Reduction Program.]

Stoe & Cie (1991). <i>DIF4</i>. Stoe & Cie, Darmstadt, Germany.
[Diffractometer Control Program.]

Stoe & Cie (1991). <i>REDU4</i>. Stoe & Cie, Darmstadt, Germany.
[Data Reduction Program.]

Stoe & Cie (1994). <i>IPDS User Manual</i>. Stoe & Cie, Darmstadt,
Germany.

Stoe & Cie (1995). <i>IPDS</i>. Stoe & Cie, Darmstadt, Germany.
[Imaging Plate Diffractometer System.]

Stoe & Cie (1995). <i>STADI4</i>. Stoe & Cie, Darmstadt, Germany. 
[Data Collection Program for Windows.]

Stoe & Cie (1995). <i>STADI4 and X-RED</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1995). <i>X-RED</i>. Stoe & Cie, Darmstadt, Germany.
[Data Reduction Program for Windows.]

Stoe & Cie (1996). <i>STADI4</i>. Stoe & Cie, Darmstadt, Germany. 
[Diffractometer Control Program.]

Stoe & Cie (1996). <i>X-RED</i>. Stoe & Cie, Darmstadt, Germany.
[Data Reduction program.]

Stoe & Cie (1996). <i>X-SHAPE for Windows</i>. Stoe & Cie, Darmstadt, Germany. 
[Crystal Optimisation for Numerical Absorption Correction.]

Stoe & Cie (1996). <i>IPDS</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1996). <i>IPDS, X-RED, X-SHAPE and X-STEP</i>. Stoe & Cie, 
Darmstadt, Germany.

Stoe (1997). <i>CELL</i>. Stoe IPDS, Darmstadt, Germany.
[Program for Cell Refinement.]

Stoe (1997). <i>EXPOSE</i>. Stoe IPDS, Darmstadt, Germany.
[IPDS Software for Data Collection]

Stoe (1997). <i>INTEGRATE</i>. Stoe IPDS, Darmstadt, Germany.
[Program for Reduction of <i>IPDS</i> Data.]

Stoe & Cie (1997). <i>IPDS</i>. Stoe & Cie, Darmstadt, Germany.
[Imaging Plate Diffractometer System.]

Stoe & Cie (1997). <i>IPDS Software and X-RED<i>. Stoe & Cie GmbH, Darmstadt, 
Germany.

Stoe & Cie (1998). <i>IPDS</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1998). <i>X-SHAPE and X-RED</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1999). <i>IPDS</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1999). <i>X-RED and IPDS</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (1999). <i>X-SHAPE</i>. Stoe & Cie, Darmstadt,
Germany.

Stoe & Cie (2000). <i>IPDS II Bedienungshandbuch</i>. Stoe & Cie, Darmstadt,
Germany.

Stoe & Cie (2001). <i>X-AREA and X-RED</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (2002). <i>X-AREA and X-RED32</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (2005). <i>X-AREA and X-RED32</i>. Stoe & Cie, Darmstadt, Germany.

Stoe & Cie (2006). <i>X-AREA and X-RED32</i>. Stoe & Cie, Darmstadt, Germany.

Stout, G. H. & Jensen, L. H. (1968). <i>X-ray Structure Determination: A 
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Svenson, C. (1974). <i>CELSIUS</i>. Lund, Sweden.
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Syntex (1973). <i>XTL Structure Determination System</i>. Syntex Analytical
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Syntex (1976). <i>XTL/XTLE Structure Determination System</i>. Syntex
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Taylor, R. & Macrae, C. F. (2001). <i>Acta Cryst.</i> B<b>57</b>, 815--817. 
[<i>Mercury</i> software]

TRIPOS Associates Inc. (1992). <i>SYBYL</i>. TRIPOS Associates Inc., St Louis, 
Missouri, USA.
[Molecular Modeling Software.]

TRIPOS Associates Inc. (1996). <i>SYBYL</i>. TRIPOS Associates Inc., St Louis, 
Missouri, USA.
[Molecular Modeling Software.]

Trueblood, K. N. (1984). <i>THMV</i>. University of California, Los Angeles,
USA.
[Program for Thermal Motion Analysis.]

UCLA Crystallographic Package (1984). University of California, Los Angeles,
USA.

Ugozzoli, F. (1987). <i>Comput. Chem.</i> <b>11</b>, 109--120.

Vanderveken, D. & Vercauteren, D. P. (1991). <i>KEMIT<i>. Facult\'es 
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Vickovi\'c, I. (1988). <i>J. Appl. Cryst.</i> <b>21</b>, 987--990.
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Vickovi\'c, I. (1988). <i>CSU</i>. University of Zagreb, Croatia.
[Crystal Structure Utility Program.]

Walker, N. & Stuart, D. (1983). <i>Acta Cryst.</i> A<b>39</b>, 158--166.

Watkin, D. J., Carruthers, J. R. & Betteridge, P. W. (1985). <i>CRYSTALS
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Watkin, D. J., Prout, C. K., Carruthers, J. R. & Betteridge, P. W. (1996).
<i>CRYSTALS</i>. Chemical Crystallography Laboratory, University of Oxford, 
England.

Watkin, D. J., Prout, C. K., Carruthers, J. R. & Betteridge, P. W. (1999).
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Watkin, D. J., Prout, C. K., Carruthers, J. R., Betteridge, P. W. & Cooper, R.
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England.

Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). <i>CAMERON</i>. Chemical
Crystallography Laboratory, University of Oxford, England.

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[SnB, Shake 'n' Bake]

Westrip, S. P. (2007). <i>publCIF</i>. In preparation.

Williams, D. E. (1984). <i>PCK83</i>. QCPE No. 481. Department of Chemistry,
University of Indiana, USA.
[Crystal and Molecular Packing Analysis Program.]

Wishart, D. S., Knox, C, Guo, A. C., Shrivastava, S., Hassanali, M., Stothard, 
P., Chang, Z. & Woolsey, J. (2006). <i>Nucleic Acids Res.</i> <b>34</b>, 
D668-672.
[DrugBank reference]

Yamaguchi, K. (1987). <i>XPACK</i>. University of Showa, Tokyo, Japan.
[Program for X-ray Parameters Report.]

Yao, J.-X., Zheng, C.-D., Qian, J.-Z., Han, F.-S., Gu, Y.-X. & Fan, H.-F.
(1985). <i>SAPI85</i>. Institute of Physics, Chinese Academy of Sciences,
Beijing, People's Republic of China.
[A System of Computer Programs for the Automatic Solution of Crystal Structures 
from X-ray Diffraction Data.]

Zachariasen, W. H. (1948). <i>Acta Cryst.</i> <b>1</b>, 263--265.

Zachariasen, W. H. (1963). <i>Acta Cryst.</i> <b>16</b>, 1139--1144.

Zachariasen, W. H. (1967). <i>Acta Cryst.</i> <b>23</b>, 558--564.

Zachariasen, W. H. (1968). <i>Acta Cryst.</i> A<b>24</b>, 212--216.

Zsolnai, L. (1994). <i>ZORTEP</i>. University of Heidelberg, Germany.
[Program for the Presentation of Thermal Ellipsoids.]

Zsolnai, L. & Pritzkow, H. (1995). <i>ORTEP for a Silicon Graphics
Computer</i>. University of Heidelberg, Germany.

Zsolnai, L., Pritzkow, H. & Huttner, G. (1996). <i>ZORTEP</i>. University of
Heidelberg, Germany.

Zsolnai, L. (1996). <i>XPMA</i>. University of Heidelberg, Germany.
[Molecular Geometry Program for a Silicon Graphics Computer.]

Zsolnai, L. (1997). <i>ZORTEP</i>. University of Heidelberg, Germany.
[Molecular Graphics Program.]
