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CIF Information Card
Information card for 7205875
7205874 << 7205875 >> 7205876Preview
|
Coordinates |
7205875.cif |
Structure parameters
| Formula | - C54 H96 Br6 Cl4 Cu7 N20 O12 - |
| Calculated formula | - C48 H68 Br6 Cl4 Cu7 N18 O10 - |
| Title of publication | Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate |
| Authors of publication | Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2820 |
| a | 24.3342 ± 0.0013 Å |
| b | 22.3283 ± 0.0012 Å |
| c | 14.4168 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7833.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P n m a |
| Hall symmetry space group | -P 2ac 2n |
| Residual factor for all reflections | 0.0703 |
| Residual factor for observed reflections | 0.0462 |
| Weighted residual factors for the observed reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for observed reflections | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |