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Information card for entry 7032077
Preview
| Coordinates | 7032077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H28 Cl6 Fe N8 |
|---|---|
| Calculated formula | C42 H28 Cl6 Fe N8 |
| Title of publication | Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex. |
| Authors of publication | Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 43 |
| Pages of publication | 16387 - 16394 |
| a | 10.9911 ± 0.0002 Å |
| b | 21.4295 ± 0.0003 Å |
| c | 16.4722 ± 0.0003 Å |
| α | 90° |
| β | 92.524 ± 0.002° |
| γ | 90° |
| Cell volume | 3876 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032077.cif |
| 180026 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/20. |
7032077.cif |
| 126453 | 2014-11-06 | cif/ Updating files of 7032074, 7032075, 7032076, 7032077, 7032078, 7032079 Original log message: Adding full bibliography for 7032074--7032079.cif. |
7032077.cif |
| 122289 | 2014-08-21 | cif/ Adding structures of 7032074, 7032075, 7032076, 7032077, 7032078, 7032079 via cif-deposit CGI script. |
7032077.cif |
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Users of the data should acknowledge the original authors of the
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