Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322315
Preview
| Coordinates | 4322315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 Cl0.67 Fe0.33 N6 O2.67 |
|---|---|
| Calculated formula | C12 H12 Cl2 Fe N18 O8 |
| Title of publication | Two-Step Spin Conversion for the Three-Dimensional Compound Tris(4,4'-bis-1,2,4-triazole)iron(II) Diperchlorate |
| Authors of publication | Yann Garcia; Olivier Kahn; Louis Rabardel; Benoit Chansou; Lionel Salmon; Jean Pierre Tuchagues |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4663 - 4670 |
| a | 11.03 Å |
| b | 11.03 Å |
| c | 33.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3477.77 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Goodness-of-fit parameter for significantly intense reflections | 1.0762 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295997 (current) | 2024-11-19 | Added the '_atom_site_type_symbol' data item in entries 4322315-4322317. |
4322315.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322315.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4322315.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322315.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322315.cif |
| 20586 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322315 via cif-deposit CGI script. |
4322315.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.