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Information card for entry 7704864
Preview
| Coordinates | 7704864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H46 Cu2 Mn N4 O8 |
|---|---|
| Calculated formula | C42 H46 Cu2 Mn N4 O8 |
| Title of publication | Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes. |
| Authors of publication | Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 32 |
| Pages of publication | 11268 - 11281 |
| a | 10.3064 ± 0.0015 Å |
| b | 11.5974 ± 0.0017 Å |
| c | 16.442 ± 0.002 Å |
| α | 90° |
| β | 93.429 ± 0.003° |
| γ | 90° |
| Cell volume | 1961.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7704864.cif |
| 256053 | 2020-09-06 | cif/ Updating files of 7704864, 7704865, 7704866, 7704867, 7704868 Original log message: Adding full bibliography for 7704864--7704868.cif. |
7704864.cif |
| 254374 | 2020-07-17 | cif/ Adding structures of 7704864, 7704865, 7704866, 7704867, 7704868 via cif-deposit CGI script. |
7704864.cif |
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Users of the data should acknowledge the original authors of the
structural data.