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CIF Information Card
Information card for 1100779
1100778 << 1100779 >> 1100780Preview
|
Coordinates |
1100779.cif |
Structure parameters
| Formula | - C72 H104 N12 O72 P12 S2 Zn14 - |
| Calculated formula | - C72 H104 N12 O72 P12 S2 Zn14 - |
| Title of publication | [Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure |
| Authors of publication | Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 2984 - 2985 |
| a | 22.69 ± 0.002 Å |
| b | 16.6746 ± 0.0017 Å |
| c | 18.1507 ± 0.0019 Å |
| α | 90° |
| β | 93.39 ± 0.002° |
| γ | 90° |
| Cell volume | 6855.2 ± 1.2 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 | 0.085 |
| Residual factor for observed reflections | 0.057 |
| Weighted residual factors for the observed reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for observed reflections | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |