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Information card for entry 4519123
Preview
| Coordinates | 4519123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H61.72 Cl6 N35 O16 Zn |
|---|---|
| Calculated formula | C66 H61.724 Cl6 N35 O16 Zn |
| Title of publication | Cucurbit[8]uril-Assisted Nucleophilic Reaction: A Unique Supramolecular Approach for Cyanide Detection and Removal from Aqueous Solution. |
| Authors of publication | Shen, Hongqun; Liu, Chun; Zheng, Jun; Tao, Zhu; Nie, Haigen; Ni, Xin-Long |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 46 |
| Pages of publication | 55463 - 55469 |
| a | 18.2471 ± 0.001 Å |
| b | 26.9246 ± 0.0015 Å |
| c | 21.8712 ± 0.001 Å |
| α | 90° |
| β | 112.775 ± 0.002° |
| γ | 90° |
| Cell volume | 9907.4 ± 0.9 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1889 |
| Weighted residual factors for all reflections included in the refinement | 0.2027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271007 (current) | 2021-12-03 | cif/ Adding structures of 4519123 via cif-deposit CGI script. |
4519123.cif |
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