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Information card for entry 7707187
Preview
| Coordinates | 7707187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 Cl2 Co N4 O3 |
|---|---|
| Calculated formula | C22 H16 Cl2 Co N4 O3 |
| Title of publication | Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules. |
| Authors of publication | Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 22 |
| Pages of publication | 7843 - 7853 |
| a | 8.377 ± 0.002 Å |
| b | 13.222 ± 0.003 Å |
| c | 9.678 ± 0.003 Å |
| α | 90° |
| β | 114.06 ± 0.04° |
| γ | 90° |
| Cell volume | 978.8 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267163 (current) | 2021-07-05 | cif/ Updating files of 7707184, 7707185, 7707186, 7707187 Original log message: Adding full bibliography for 7707184--7707187.cif. |
7707187.cif |
| 264439 | 2021-04-23 | cif/ Adding structures of 7707184, 7707185, 7707186, 7707187 via cif-deposit CGI script. |
7707187.cif |
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Users of the data should acknowledge the original authors of the
structural data.