Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566028
Preview
| Coordinates | 1566028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H112 Cl8 N40 O55 Pb4 |
|---|---|
| Calculated formula | C90 H112 Cl8 N40 O55 Pb4 |
| 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 | 27.305 ± 0.004 Å |
| b | 14.774 ± 0.002 Å |
| c | 33.7 ± 0.005 Å |
| α | 90° |
| β | 102.518 ± 0.004° |
| γ | 90° |
| Cell volume | 13272 ± 3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1665 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.1947 |
| Weighted residual factors for all reflections included in the refinement | 0.2213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
1566028.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.