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Information card for entry 7702977
Preview
| Coordinates | 7702977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C82 H78 Cl2 Cu4 Mn2 N8 O26 |
|---|---|
| Calculated formula | C82 H78 Cl2 Cu4 Mn2 N8 O26 |
| Title of publication | Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities. |
| Authors of publication | Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 4 |
| Pages of publication | 1276 - 1291 |
| a | 15.56 ± 0.002 Å |
| b | 8.5983 ± 0.0013 Å |
| c | 31.676 ± 0.005 Å |
| α | 90° |
| β | 103.136 ± 0.003° |
| γ | 90° |
| Cell volume | 4127 ± 1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1214 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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. |
7702977.cif |
| 247713 | 2020-02-04 | cif/ Updating files of 7702975, 7702976, 7702977, 7702978 Original log message: Adding full bibliography for 7702975--7702978.cif. |
7702977.cif |
| 245296 | 2019-12-18 | cif/ Adding structures of 7702975, 7702976, 7702977, 7702978 via cif-deposit CGI script. |
7702977.cif |
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Users of the data should acknowledge the original authors of the
structural data.