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Information card for entry 8107272
Preview
| Coordinates | 8107272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Br N3 Ni O S |
|---|---|
| Calculated formula | C12 H14 Br N3 Ni O S |
| Title of publication | [5-Bromo-2-(2-(dimethylamino)ethyliminomethyl)phenolato-κ3 N,N′,O]-isothiocyanato-nickel(II), C12H14BrN3NiOS |
| Authors of publication | Huang, Meifen; Chen, Zhizheng; Xu, Jiajun; Wu, Qiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 987 - 989 |
| a | 7.0191 ± 0.0005 Å |
| b | 10.8476 ± 0.0007 Å |
| c | 19.0237 ± 0.0012 Å |
| α | 90° |
| β | 95.564 ± 0.002° |
| γ | 90° |
| Cell volume | 1441.65 ± 0.17 Å3 |
| Cell temperature | 148 ± 2 K |
| Ambient diffraction temperature | 148 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284089 (current) | 2023-05-31 | cif/ Adding structures of 8107272 via cif-deposit CGI script. |
8107272.cif |
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Users of the data should acknowledge the original authors of the
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