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Results for cif 1771 to 1785 of 3458 results.
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Iatom_site_constraints.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_constraints Name: '_atom_site_constraints' Definition: A description of the constraints applied to parameters at this site during refinement. See also _atom_site_refinement_flags and _refine_ls_number_constraints. Example: pop=1.0-pop(Zn3) Appears in list containing _atom_site_label Enumeration ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_constraints.html

Iatom_site_chemical_conn_number.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_chemical_conn_number Name: '_atom_site_chemical_conn_number' Definition: This number links an atom site to the chemical connectivity list. It must match a number specified by _chemical_conn_atom_number. Appears in list containing _atom_site_labelMust match data name_chemical ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_chemical_conn_number.html

Iatom_site_Cartn_.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_Cartn_ Names: '_atom_site_Cartn_x' '_atom_site_Cartn_y' '_atom_site_Cartn_z' Definition: The atom-site coordinates in angstroms specified according to a set of orthogonal Cartesian axes related to the cell axes as specified by the _atom_sites_Cartn_transform ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_Cartn_.html

Iatom_site_calc_flag.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_calc_flag Name: '_atom_site_calc_flag' Definition: A standard code to signal whether the site coordinates have been determined from the intensities or calculated from the geometry of surrounding sites, or have been assigned dummy coordinates. The abbreviation 'c' may be used ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_calc_flag.html

Iatom_site_calc_attached_atom.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_calc_attached_atom Name: '_atom_site_calc_attached_atom' Definition: The _atom_site_label of the atom site to which the 'geometry- calculated' atom site is attached. Appears in list containing _atom_site_label Enumeration default: . Type: char Category: atom_site...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_calc_attached_atom.html

Iatom_site_B_iso_or_equiv.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_B_iso_or_equiv Name: '_atom_site_B_iso_or_equiv' Definition: Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated from anisotropic displacement components. B(equiv) = (1/3) sum~i~[sum~j~(B^ij^ a ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_B_iso_or_equiv.html

Iatom_site_B_equiv_geom_mean.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_B_equiv_geom_mean Name: '_atom_site_B_equiv_geom_mean' Definition: Equivalent isotropic atomic displacement parameter, B(equiv), in angstroms squared, calculated as the geometric mean of the anisotropic atomic displacement parameters. B(equiv) = (B~i~ B~j~ B~k~)^1/3 ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_B_equiv_geom_mean.html

Iatom_site_attached_hydrogens.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_attached_hydrogens Name: '_atom_site_attached_hydrogens' Definition: The number of hydrogen atoms attached to the atom at this site excluding any hydrogen atoms for which coordinates (measured or calculated) are given. Examples: 2 water oxygen 1 hydroxyl oxygen 4 ammonium nitrogen Appears ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_attached_hydrogens.html

Iatom_site_aniso_U_.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_aniso_U_ Names: '_atom_site_aniso_U_11' '_atom_site_aniso_U_12' '_atom_site_aniso_U_13' '_atom_site_aniso_U_22' '_atom_site_aniso_U_23' '_atom_site_aniso_U_33' Definition: These are the standard anisotropic atomic displacement components in ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_U_.html

Iatom_site_aniso_type_symbol.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_aniso_type_symbol Name: '_atom_site_aniso_type_symbol' Definition: This _atom_type_symbol code links the anisotropic atom parameters to the atom-type data associated with this site and must match one of the _atom_type_symbol codes in this list. Appears ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_type_symbol.html

Iatom_site_aniso_ratio.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_aniso_ratio Name: '_atom_site_aniso_ratio' Definition: Ratio of the maximum to minimum principal axes of displacement (thermal) ellipsoids. Appears in list containing _atom_site_aniso_label The permitted range is 1.0 -> infinity Type: numb Category: atom_site...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_ratio.html

Iatom_site_aniso_label.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_aniso_label Name: '_atom_site_aniso_label' Definition: Anisotropic atomic displacement parameters are usually looped in a separate list. If this is the case, this code must match the _atom_site_label of the associated atom in the atom coordinate list and conform ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_label.html

Iatom_site_aniso_B_.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_aniso_B_ Names: '_atom_site_aniso_B_11' '_atom_site_aniso_B_12' '_atom_site_aniso_B_13' '_atom_site_aniso_B_22' '_atom_site_aniso_B_23' '_atom_site_aniso_B_33' Definition: These are the standard anisotropic atomic displacement components in ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_B_.html

Iatom_site_adp_type.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_adp_type Name: '_atom_site_adp_type' Definition: A standard code used to describe the type of atomic displacement parameters used for the site. Appears in list containing _atom_site_label Related item: _atom_site_thermal_displace_type (alternate) The data value must ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_adp_type.html

Istruct_mon_nucl.chi1.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _struct_mon_nucl.chi1Name:'_struct_mon_nucl.chi1' Definition: The value in degrees of the sugar-base torsion angle chi1 (O4'-C1'-N1-C2). Type: float Mandatory item: no Category: struct_mon_nucl...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Istruct_mon_nucl.chi1.html

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