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Information card for entry 7701900
Preview
| Coordinates | 7701900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H63 Cl2 Mn2 N13 O11 |
|---|---|
| Calculated formula | C56 H63 Cl2 Mn2 N13 O11 |
| Title of publication | Catechol oxidase activity of comparable dimanganese and dicopper complexes. |
| Authors of publication | Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 43 |
| Pages of publication | 15555 - 15564 |
| a | 13.08 ± 0.0004 Å |
| b | 14.418 ± 0.0005 Å |
| c | 17.9989 ± 0.0005 Å |
| α | 73.3874 ± 0.0019° |
| β | 78.3545 ± 0.0018° |
| γ | 66.9439 ± 0.0018° |
| Cell volume | 2977.27 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7701900.cif |
| 227803 | 2019-11-15 | cif/ Adding structures of 7701900, 7701901, 7701902, 7701903 via cif-deposit CGI script. |
7701900.cif |
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Users of the data should acknowledge the original authors of the
structural data.