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Information card for entry 7060260
Preview
| Coordinates | 7060260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H48 Cl2 Cu2 N10 O10 |
|---|---|
| Calculated formula | C48 H48 Cl2 Cu2 N10 O10 |
| Title of publication | The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints |
| Authors of publication | Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 3 |
| Pages of publication | 1203 - 1215 |
| a | 12.543 ± 0.002 Å |
| b | 14.391 ± 0.003 Å |
| c | 14.081 ± 0.003 Å |
| α | 90° |
| β | 108.768 ± 0.005° |
| γ | 90° |
| Cell volume | 2406.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1792 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.2026 |
| Weighted residual factors for all reflections included in the refinement | 0.2627 |
| 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 |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060260.cif |
| 261749 | 2021-02-05 | cif/ Updating files of 7060257, 7060258, 7060259, 7060260 Original log message: Adding full bibliography for 7060257--7060260.cif. |
7060260.cif |
| 260558 | 2021-01-06 | cif/ Adding structures of 7060257, 7060258, 7060259, 7060260 via cif-deposit CGI script. |
7060260.cif |
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Users of the data should acknowledge the original authors of the
structural data.