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Information card for entry 7239039
Preview
| Coordinates | 7239039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H48 Cu N6 O8 |
|---|---|
| Calculated formula | C48 H48 Cu N6 O8 |
| Title of publication | A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols |
| Authors of publication | Samanta, Suvendu; Das, Sudipto; Samanta, Partha Kumar; Dutta, Supriya; Biswas, Papu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 42 |
| Pages of publication | 19455 |
| a | 9.95 ± 0.004 Å |
| b | 13.482 ± 0.005 Å |
| c | 17.253 ± 0.006 Å |
| α | 90° |
| β | 105.438 ± 0.009° |
| γ | 90° |
| Cell volume | 2230.9 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7239039.cif |
| 244518 | 2019-11-28 | cif/ Adding structures of 7239039 via cif-deposit CGI script. |
7239039.cif |
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Users of the data should acknowledge the original authors of the
structural data.