Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565679
Preview
| Coordinates | 1565679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl H57 Mo8 N12 O56.5 P9 |
|---|---|
| Calculated formula | Cl H57 Mo8 N12 O56.5 P9 |
| Title of publication | [NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties |
| Authors of publication | Jiang, Zhongqi; Chen, Wenqiang; Jing, Qun; Lee, Ming-Hsien; Chen, Zhaohui |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 499 |
| Pages of publication | 119198 |
| a | 9.7089 ± 0.0004 Å |
| b | 9.7089 ± 0.0004 Å |
| c | 14.5943 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1375.7 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 81 |
| Hermann-Mauguin space group symbol | P -4 |
| Hall space group symbol | P -4 |
| Residual factor for all reflections | 0.0142 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections included in the refinement | 0.0342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271353 (current) | 2021-12-13 | cif/ Adding structures of 1565679 via cif-deposit CGI script. |
1565679.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.