Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1563576
Preview
| Coordinates | 1563576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H110 Cu2 N12 Na O51 S4 |
|---|---|
| Calculated formula | C88 H60 Cu2 N12 Na O51 S4 |
| Title of publication | Guests inducing p-sulfonatocalix[4]arenes into nanocapsule and layer structure |
| Authors of publication | Zheng, Guoli; Fan, Weiqiang; Song, Shuyan; Guo, Huadong; Zhang, HongJie |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2010 |
| Journal volume | 183 |
| Journal issue | 6 |
| Pages of publication | 1457 - 1463 |
| a | 14.2392 ± 0.0012 Å |
| b | 14.2756 ± 0.0012 Å |
| c | 27.679 ± 0.002 Å |
| α | 93.383 ± 0.001° |
| β | 91.68 ± 0.001° |
| γ | 112.29 ± 0.001° |
| Cell volume | 5188.8 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.2049 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266561 (current) | 2021-06-18 | cif/ Adding structures of 1563575, 1563576 via cif-deposit CGI script. |
1563576.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.