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Information card for entry 7705431
Preview
| Coordinates | 7705431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H47 Br2 Cl2 Mn N6 O10 |
|---|---|
| Calculated formula | C30 H47 Br2 Cl2 Mn N6 O10 |
| SMILES | Brc1ccc2O[Mn]345(Oc6ccc(Br)cc6C=[N]4CCC[NH]5CCC[NH+](C)C)[N](=Cc2c1)CCC[NH]3CCCN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes. |
| Authors of publication | Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 40 |
| Pages of publication | 14216 - 14230 |
| a | 14.3176 ± 0.0012 Å |
| b | 15.3238 ± 0.0013 Å |
| c | 17.612 ± 0.0014 Å |
| α | 89.469 ± 0.003° |
| β | 89.675 ± 0.003° |
| γ | 79.55 ± 0.003° |
| Cell volume | 3799.8 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
7705431.cif |
| 294865 | 2024-09-24 | cif/7: Fixing Z values and formulae |
7705431.cif |
| 258851 | 2020-11-06 | cif/ Updating files of 7705430, 7705431, 7705432, 7705433 Original log message: Adding full bibliography for 7705430--7705433.cif. |
7705431.cif |
| 256448 | 2020-09-16 | cif/ Adding structures of 7705430, 7705431, 7705432, 7705433 via cif-deposit CGI script. |
7705431.cif |
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