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Information card for entry 7206287
Preview
| Coordinates | 7206287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96.32 H109.28 N24 Ni3 O39.32 S6 |
|---|---|
| Calculated formula | C96.32 H109.28 N24 Ni3 O39.32 S6 |
| Title of publication | Gradual spin crossover behaviour in a linear trinuclear FeII complex |
| Authors of publication | Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 16 |
| Pages of publication | 5190 |
| a | 15.056 ± 0.002 Å |
| b | 16.698 ± 0.002 Å |
| c | 16.718 ± 0.002 Å |
| α | 103.588 ± 0.002° |
| β | 109.528 ± 0.002° |
| γ | 111.43 ± 0.002° |
| Cell volume | 3368.1 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1115 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.2041 |
| Weighted residual factors for all reflections included in the refinement | 0.2361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206287.cif |
| 180393 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62. |
7206287.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 {}' |
7206287.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206287.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206287.cif |
| 23589 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206283, 7206284, 7206285, 7206286, 7206287 via cif-deposit CGI script. |
7206287.cif |
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Users of the data should acknowledge the original authors of the
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