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Information card for entry 7236235
Preview
| Coordinates | 7236235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H32 Cu3 N6 O10 |
|---|---|
| Calculated formula | C34 H32 Cu3 N6 O10 |
| Title of publication | A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization |
| Authors of publication | Datta, Amitabha; Das, Kuheli; Mane, Sandeep B.; Mendiratta, Shruti; El Fallah, Mohamed Salah; Garribba, Eugenio; Bauzá, Antonio; Frontera, Antonio; Hung, Chen-Hsiung; Sinha, Chittaranjan |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 60 |
| Pages of publication | 54856 |
| a | 8.8854 ± 0.0004 Å |
| b | 11.6472 ± 0.0005 Å |
| c | 16.093 ± 0.0006 Å |
| α | 90° |
| β | 101.034 ± 0.002° |
| γ | 90° |
| Cell volume | 1634.68 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7236235.cif |
| 235294 | 2019-11-23 | cif/ Adding structures of 7236235 via cif-deposit CGI script. |
7236235.cif |
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Users of the data should acknowledge the original authors of the
structural data.