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Information card for entry 1565705
Preview
| Coordinates | 1565705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H48 Cu2 N32 O16 S8 |
|---|---|
| Calculated formula | C44 H48 Cu2 N32 O15.9998 S8 |
| Title of publication | Anion control in the complexation of cucurbit[6]uril with Cu(II) salts |
| Authors of publication | Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 499 |
| Pages of publication | 119183 |
| a | 14.9523 ± 0.0012 Å |
| b | 14.9523 ± 0.0012 Å |
| c | 39.342 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7617.3 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1402 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.1947 |
| Weighted residual factors for all reflections included in the refinement | 0.2096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271364 (current) | 2021-12-13 | cif/ Adding structures of 1565705, 1565706, 1565707 via cif-deposit CGI script. |
1565705.cif |
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Users of the data should acknowledge the original authors of the
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