Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232839
Preview
| Coordinates | 7232839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H23 Mo2 N5 O9 |
|---|---|
| Calculated formula | C27 H23 Mo2 N5 O9 |
| Title of publication | Molecular chains of coordinated dimolybdenum isonicotinate paddlewheel clusters |
| Authors of publication | Li, Minyuan M.; Claire, F. James; Solomos, Marina A.; Tenney, Stephanie M.; Ivanov, Sergei A.; Siegler, Maxime A.; Kempa, Thomas J. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 29 |
| Pages of publication | 16492 |
| a | 8.5571 ± 0.0003 Å |
| b | 11.9579 ± 0.0005 Å |
| c | 15.1881 ± 0.0005 Å |
| α | 111.799 ± 0.003° |
| β | 92.248 ± 0.003° |
| γ | 99.262 ± 0.003° |
| Cell volume | 1415.84 ± 0.1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232839.cif |
| 215584 | 2019-05-29 | cif/ Adding structures of 7232839 via cif-deposit CGI script. |
7232839.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.