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Information card for entry 7044323
Preview
| Coordinates | 7044323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H29 Cl2 Mn N7 O10 |
|---|---|
| Calculated formula | C30 H29 Cl2 Mn N7 O10 |
| Title of publication | Design of synthetic superoxide dismutase mimetics: Seven-coordinate water soluble Manganese(II) and Iron(II) complexes and their superoxide dismutase like activity studies |
| Authors of publication | Ghosh, Kaushik; Singh, Ovender; Tyagi, Nidhi; Olmstead, Marilyn M. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 9.3017 ± 0.0005 Å |
| b | 14.0136 ± 0.0007 Å |
| c | 14.6344 ± 0.0008 Å |
| α | 111.689 ± 0.0007° |
| β | 103.584 ± 0.0007° |
| γ | 100.611 ± 0.0007° |
| Cell volume | 1643.62 ± 0.15 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7044323.cif |
| 201293 | 2017-09-26 | cif/ Adding structures of 7044323, 7044324 via cif-deposit CGI script. |
7044323.cif |
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Users of the data should acknowledge the original authors of the
structural data.