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CIF Information Card
Information card for 7205953
7205952 << 7205953 >> 7205954Preview
|
Coordinates |
7205953.cif |
Structure parameters
| Formula | - C52 H42 Cu4 N8 O12 S3 - |
| Calculated formula | - C52 H40 Cu4 N8 O12 S3 - |
| Title of publication | The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs |
| Authors of publication | Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3895 |
| a | 10.628 ± 0.002 Å |
| b | 35.255 ± 0.007 Å |
| c | 15.059 ± 0.003 Å |
| α | 90° |
| β | 110.5 ± 0.03° |
| γ | 90° |
| Cell volume | 5285 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0854 |
| Residual factor for observed reflections | 0.0698 |
| Weighted residual factors for the observed reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.1977 |
| Goodness-of-fit parameter for observed reflections | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |