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Information card for entry 7702693
Preview
| Coordinates | 7702693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H18 Cl2 Cu N6 O11 |
|---|---|
| Calculated formula | C15 H18 Cl2 Cu N6 O11 |
| 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 | 10.446 ± 0.002 Å |
| b | 10.446 ± 0.002 Å |
| c | 18.561 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1754 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1469 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7702693.cif |
| 243961 | 2019-11-28 | cif/ Adding structures of 7702693, 7702694 via cif-deposit CGI script. |
7702693.cif |
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Users of the data should acknowledge the original authors of the
structural data.