Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232315
Preview
| Coordinates | 7232315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H28 Cl2 N4 O6 V2 |
|---|---|
| Calculated formula | C22 H28 Cl2 N4 O6 V2 |
| Title of publication | Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes |
| Authors of publication | Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 4789 |
| a | 22.194 ± 0.002 Å |
| b | 7.5879 ± 0.0007 Å |
| c | 15.5112 ± 0.0012 Å |
| α | 90° |
| β | 97.479 ± 0.01° |
| γ | 90° |
| Cell volume | 2590 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7232315.cif |
| 213526 | 2019-02-07 | cif/ Adding structures of 7232312, 7232313, 7232314, 7232315 via cif-deposit CGI script. |
7232315.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.