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Idiffrn_ambient_pressure_.html: Index Core dictionary (coreCIF) version 2.4.5 _diffrn_ambient_pressure_ Names: '_diffrn_ambient_pressure_gt' '_diffrn_ambient_pressure_lt' Definition: The mean hydrostatic pressure in kilopascals above which (*_gt) or below which (*_lt) the intensities were measured. These items allow for a pressure range to be given. _diffrn_ambient_pressure should always ... ...

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

Cspace_group_symop.html: Index Core dictionary (coreCIF) version 2.4.5 Category SPACE_GROUP_SYMOP Name: '_space_group_symop_[]' Definition: Contains information about the symmetry operations of the space group. Example: Example 1 - the symmetry operations for the space group P21/c. loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z ... ...

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

Cchemical.html: Index Core dictionary (coreCIF) version 2.4.5 Category CHEMICAL Name: '_chemical_[]' Definition: Data items in the CHEMICAL category record details about the composition and chemical properties of the compound. The formula data items must agree with those that specify the density, unit-cell and Z values. Example: Example 1 - based on data ... ...

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

Catom_sites.html: Index Core dictionary (coreCIF) version 2.4.5 Category ATOM_SITES Name: '_atom_sites_[]' Definition: Data items in the ATOM_SITES category record details about the crystallographic cell and cell transformations, which are common to all atom sites. Example: Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding ... ...

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

Crefine.html: Index Core dictionary (coreCIF) version 2.4.5 Category REFINE Name: '_refine_[]' Definition: Data items in the REFINE category record details about the structure-refinement parameters. Example: Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. _refine_special_details sfls:_F_calc_weight_full ... ...

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

Idiffrn_reflns_theta_max.html: Index Core dictionary (coreCIF) version 2.4.5 _diffrn_reflns_theta_max Name: '_diffrn_reflns_theta_max' Definition: Maximum theta angle in degrees for the measured intensities. The fraction of unique reflections measured out to this angle is given by _diffrn_measured_fraction_theta_max The permitted range is 0.0 -> 90.0 Type: numb ... ...

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

Creflns.html: Index Core dictionary (coreCIF) version 2.4.5 Category REFLNS Name: '_reflns_[]' Definition: Data items in the REFLNS category record details about the reflections used to determine the ATOM_SITE data items. The REFLN data items refer to individual reflections and must be included in looped lists. The REFLNS data items specify the ... ...

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

Ireflns_Friedel_coverage.html: Index Core dictionary (coreCIF) version 2.4.5 _reflns_Friedel_coverage Name: '_reflns_Friedel_coverage' Definition: The proportion of Friedel-related reflections present in the number of 'independent' reflections specified by the item _reflns_number_total. This proportion is calculated as the ratio: [N(crystal class) - N(Laue symmetry)] / N(Laue symmetry) where ... ...

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

Idiffrn_reflns_theta_full.html: Index Core dictionary (coreCIF) version 2.4.5 _diffrn_reflns_theta_full Name: '_diffrn_reflns_theta_full' Definition: The theta angle (in degrees) at which the measured reflection count is close to complete. The fraction of unique reflections measured out to this angle is given by _diffrn_measured_fraction_theta_full. The permitted ... ...

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

Cdiffrn_radiation_wavelength.html: Index Core dictionary (coreCIF) version 2.4.5 Category DIFFRN_RADIATION_WAVELENGTH Name: '_diffrn_radiation_wavelength_[]' Definition: Data items in the DIFFRN_RADIATION_WAVELENGTH category describe the wavelength of the radiation used in measuring the diffraction intensities. Items may be looped to identify and assign weights to distinct wavelength components from a polychromatic ... ...

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

Idiffrn_radiation_wavelength_id.html: Index Core dictionary (coreCIF) version 2.4.5 _diffrn_radiation_wavelength_id Name: '_diffrn_radiation_wavelength_id' Definition: An arbitrary code identifying each value of _diffrn_radiation_wavelength. Items in the DIFFRN_RADIATION category are looped when multiple wavelengths are used. This code is used to link with the _diffrn_refln_ list. It ... ...

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

Cexptl_crystal.html: Index Core dictionary (coreCIF) version 2.4.5 Category EXPTL_CRYSTAL Name: '_exptl_crystal_[]' Definition: Data items in the EXPTL_CRYSTAL category record details about experimental measurements on the crystal or crystals used, such as shape, size or density. Examples: Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. ... ...

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

Iexptl_crystal_id.html: Index Core dictionary (coreCIF) version 2.4.5 _exptl_crystal_id Name: '_exptl_crystal_id' Definition: Code identifying each crystal if multiple crystals are used. It is used to link with _diffrn_refln_crystal_id in the intensity measurements and with _refln_crystal_id in the _refln_ list. Appears in list as essential ... ...

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

Catom_site.html: Index Core dictionary (coreCIF) version 2.4.5 Category ATOM_SITE Name: '_atom_site_[]' Definition: Data items in the ATOM_SITE category record details about the atom sites in a crystal structure, such as the positional coordinates, atomic displacement parameters, and magnetic moments and directions. Examples: Example 1 - based on data set TOZ ... ...

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

Iatom_site_symmetry_multiplicity.html: Index Core dictionary (coreCIF) version 2.4.5 _atom_site_symmetry_multiplicity Name: '_atom_site_symmetry_multiplicity' This definition has been superseded and is retained here only for archival purposes. Use instead '_atom_site_site_symmetry_multiplicity' Definition: The multiplicity of a site due to the space-group symmetry as given in International ... ...

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

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