Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241695
Preview
| Coordinates | 7241695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H66 Mo N3 O4 |
|---|---|
| Calculated formula | C49 H66 Mo N3 O4 |
| Title of publication | A biradical oxo-molybdenum complex containing semiquinone and o-aminophenol benzoxazole-based ligands |
| Authors of publication | Nasibipour, Mina; Safaei, Elham; Wojtczak, Andrzej; Jagličić, Zvonko; Galindo, Agustín; Masoumpour, Marzieh Sadat |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 67 |
| Pages of publication | 40853 - 40866 |
| a | 10.6437 ± 0.0004 Å |
| b | 14.3165 ± 0.001 Å |
| c | 16.2402 ± 0.0011 Å |
| α | 96.269 ± 0.006° |
| β | 104.683 ± 0.005° |
| γ | 96.637 ± 0.005° |
| Cell volume | 2353 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1407 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.2086 |
| Weighted residual factors for all reflections included in the refinement | 0.2612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241695.cif |
| 259595 | 2020-12-06 | cif/ Adding structures of 7241695 via cif-deposit CGI script. |
7241695.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.