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Information card for entry 4349755
Preview
| Coordinates | 4349755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Cl2 Fe N10 O8 |
|---|---|
| Calculated formula | C26 H26 Cl2 Fe N10 O8 |
| Title of publication | A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes |
| Authors of publication | Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 8 |
| Pages of publication | 1374 |
| a | 8.326 ± 0.0005 Å |
| b | 38.469 ± 0.0019 Å |
| c | 9.613 ± 0.0005 Å |
| α | 90° |
| β | 95.768 ± 0.003° |
| γ | 90° |
| Cell volume | 3063.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1004 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235796 (current) | 2019-11-24 | cif/ Adding structures of 4349753, 4349754, 4349755, 4349756, 4349757 via cif-deposit CGI script. |
4349755.cif |
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Users of the data should acknowledge the original authors of the
structural data.