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CIF Information Card
Information card for 7205874
7205873 << 7205874 >> 7205875Preview
|
Coordinates |
7205874.cif |
Structure parameters
| Formula | - C50 H85 Br6 Cl4 Cu7 N17 O9 - |
| Calculated formula | - C50 H54 Br6 Cl4 Cu7 N17 O9 - |
| 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 | 23.261 ± 0.004 Å |
| b | 13.8565 ± 0.0019 Å |
| c | 24.237 ± 0.004 Å |
| α | 90° |
| β | 106.222 ± 0.002° |
| γ | 90° |
| Cell volume | 7501 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1055 |
| Residual factor for observed reflections | 0.0923 |
| Weighted residual factors for the observed reflections | 0.1666 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for observed reflections | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |