Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516281
Preview
| Coordinates | 4516281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H24 Cu N8 O6 V2 |
|---|---|
| Calculated formula | C16 H24 Cu N8 O6 V2 |
| Title of publication | Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic–Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols |
| Authors of publication | Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1907 |
| a | 10.8254 ± 0.0003 Å |
| b | 16.3599 ± 0.0004 Å |
| c | 12.9484 ± 0.0003 Å |
| α | 90° |
| β | 95.073 ± 0.001° |
| γ | 90° |
| Cell volume | 2284.21 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516281.cif |
| 231221 | 2019-11-22 | cif/ Adding structures of 4516281 via cif-deposit CGI script. |
4516281.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.