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Information card for entry 1542767
Preview
| Coordinates | 1542767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H56 Cl4 Cs2 N20 O13 Zn |
|---|---|
| Calculated formula | C45 H50 Cl4 Cs2 N20 O13 Zn |
| Title of publication | Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion |
| Authors of publication | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2016 |
| Journal volume | 445 |
| Pages of publication | 1 - 7 |
| a | 16.17 ± 0.002 Å |
| b | 15.723 ± 0.002 Å |
| c | 22.381 ± 0.003 Å |
| α | 90° |
| β | 98.896 ± 0.002° |
| γ | 90° |
| Cell volume | 5621.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178171 (current) | 2016-03-13 | cif/ Adding structures of 1542767 via cif-deposit CGI script. |
1542767.cif |
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