Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702694
Preview
| Coordinates | 7702694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H18 Cl2 Cu N6 O8 |
|---|---|
| Calculated formula | C13 H18 Cl2 Cu N6 O8 |
| Title of publication | A tris-imidazolecarboxyaldehyde copper(ii) complex with unusual carbonyl co-ordination: structure and reactivity |
| Authors of publication | Domínguez-Vera, Jose M.; Rodríguez, Antonio; Cuesta, Rafael; Kivekäs, Raikko; Colacio, Enrique |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 4 |
| Pages of publication | 561 |
| a | 12.241 ± 0.003 Å |
| b | 10.048 ± 0.003 Å |
| c | 17.149 ± 0.005 Å |
| α | 90° |
| β | 109.35 ± 0.03° |
| γ | 90° |
| Cell volume | 1990.1 ± 1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702694.cif |
| 243961 | 2019-11-28 | cif/ Adding structures of 7702693, 7702694 via cif-deposit CGI script. |
7702694.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.