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Information card for entry 8107304
Preview
| Coordinates | 8107304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Br2 Cl2 Cu N2 O2 |
|---|---|
| Calculated formula | C19 H16 Br2 Cl2 Cu N2 O2 |
| SMILES | Brc1c2O[Cu]34Oc5c(C=[N]4CC(C[N]3=Cc2cc(Cl)c1)(C)C)cc(Cl)cc5Br |
| Title of publication | {6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-bromo-4-chlorophenolate)-κ4N,N′,O,O′}copper(II), C19H16Br2Cl2CuN2O2 |
| Authors of publication | Wu, Qiong; Yu, Guojun; Yang, Jiao; Yang, Qiuling |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1101 - 1103 |
| a | 12.4679 ± 0.0002 Å |
| b | 8.6176 ± 0.0001 Å |
| c | 19.7854 ± 0.0003 Å |
| α | 90° |
| β | 97.161 ± 0.001° |
| γ | 90° |
| Cell volume | 2109.23 ± 0.05 Å3 |
| Cell temperature | 212.99 ± 0.1 K |
| Ambient diffraction temperature | 212.99 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284395 (current) | 2023-06-07 | cif/ Adding structures of 8107304 via cif-deposit CGI script. |
8107304.cif |
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Users of the data should acknowledge the original authors of the
structural data.