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Information card for entry 7227369
Preview
| Coordinates | 7227369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H85 Cd4 Cl16 N58 O36 |
|---|---|
| Calculated formula | C117 H84 Cd4 Cl16 N59 O36 |
| Title of publication | A study of the interaction between inverted cucurbit[7]uril and symmetric viologens |
| Authors of publication | Gao, Zhongzheng; Bai, Dong; Chen, Lixia; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Redshaw, Carl |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 461 |
| a | 17.8377 ± 0.0005 Å |
| b | 26.1661 ± 0.0009 Å |
| c | 19.5368 ± 0.0009 Å |
| α | 90° |
| β | 98.161 ± 0.003° |
| γ | 90° |
| Cell volume | 9026.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1658 |
| Residual factor for significantly intense reflections | 0.1083 |
| Weighted residual factors for significantly intense reflections | 0.2972 |
| Weighted residual factors for all reflections included in the refinement | 0.3678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189960 (current) | 2017-01-06 | cif/ Adding structures of 7227368, 7227369 via cif-deposit CGI script. |
7227369.cif |
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Users of the data should acknowledge the original authors of the
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