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Information card for entry 7234339
Preview
| Coordinates | 7234339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [FeII(DPDT)2(NCSe)2] |
|---|---|
| Formula | C52 H72 Fe N18 Se2 |
| Calculated formula | C52 H72 Fe N18 Se2 |
| Title of publication | 2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes |
| Authors of publication | Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7845 - 7857 |
| a | 21.5709 ± 0.0015 Å |
| b | 14.7251 ± 0.0007 Å |
| c | 17.349 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5510.6 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.2254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234339.cif |
| 219064 | 2019-10-03 | cif/ Adding structures of 7234336, 7234337, 7234338, 7234339, 7234340, 7234341, 7234342, 7234343, 7234344 via cif-deposit CGI script. |
7234339.cif |
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Users of the data should acknowledge the original authors of the
structural data.