Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227368
Preview
| Coordinates | 7227368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H76 Br2.09 Cd2 Cl5.91 N30 O26.5 |
|---|---|
| Calculated formula | C64 H76 Br2.089 Cd2 Cl5.911 N30 O26.5 |
| 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 | 17.5609 ± 0.0008 Å |
| b | 26.6596 ± 0.0013 Å |
| c | 19.7774 ± 0.0009 Å |
| α | 90° |
| β | 96.521 ± 0.002° |
| γ | 90° |
| Cell volume | 9199.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1046 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7227368.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.