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Information card for entry 4342834
Preview
| Coordinates | 4342834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 Cl2 Mn N14 O8 |
|---|---|
| Calculated formula | C40 H30 Cl2 Mn N14 O8 |
| Title of publication | Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine. |
| Authors of publication | Miller, Reece G.; Brooker, Sally |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 11 |
| Pages of publication | 5398 - 5409 |
| a | 12.9056 ± 0.0005 Å |
| b | 13.0957 ± 0.0005 Å |
| c | 13.4141 ± 0.0004 Å |
| α | 82.7 ± 0.003° |
| β | 83.386 ± 0.003° |
| γ | 74.063 ± 0.003° |
| Cell volume | 2154.61 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0919 |
| Residual factor for significantly intense reflections | 0.0812 |
| Weighted residual factors for significantly intense reflections | 0.2278 |
| Weighted residual factors for all reflections included in the refinement | 0.2418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4342834.cif |
| 138141 | 2015-06-05 | cif/ Updating files of 4342833, 4342834, 4342835, 4342836, 4342837, 4342838, 4342839, 4342840, 4342841, 4342842 Original log message: Adding full bibliography for 4342833--4342842.cif. |
4342834.cif |
| 136522 | 2015-05-15 | cif/ Adding structures of 4342833, 4342834, 4342835, 4342836, 4342837, 4342838, 4342839, 4342840, 4342841, 4342842 via cif-deposit CGI script. |
4342834.cif |
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Users of the data should acknowledge the original authors of the
structural data.