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Information card for entry 1566025
Preview
| Coordinates | 1566025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H56 Cl3 Cr N20 O13 |
|---|---|
| Calculated formula | C45 H56 Cl3 Cr N20 O13 |
| Title of publication | Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes |
| Authors of publication | Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2022 |
| Journal volume | 529 |
| Pages of publication | 120669 |
| a | 20.623 ± 0.003 Å |
| b | 20.623 ± 0.003 Å |
| c | 31.896 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13566 ± 4 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.2032 |
| Weighted residual factors for all reflections included in the refinement | 0.2159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272104 (current) | 2022-01-18 | cif/ Adding structures of 1566025, 1566026, 1566027, 1566028 via cif-deposit CGI script. |
1566025.cif |
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Users of the data should acknowledge the original authors of the
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