Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561137
Preview
| Coordinates | 1561137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Cd4 Cl N6 O13 P2 S |
|---|---|
| Calculated formula | C16 H15 Cd4 Cl N6 O13 P2 S |
| Title of publication | Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates |
| Authors of publication | Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 261 |
| Pages of publication | 9 - 15 |
| a | 6.883 ± 0.002 Å |
| b | 24.234 ± 0.008 Å |
| c | 15.962 ± 0.005 Å |
| α | 90° |
| β | 97.404 ± 0.004° |
| γ | 90° |
| Cell volume | 2640.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.056 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.2067 |
| Weighted residual factors for all reflections included in the refinement | 0.2133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263161 (current) | 2021-03-19 | cif/ Adding structures of 1561137 via cif-deposit CGI script. |
1561137.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.