Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040576
Preview
| Coordinates | 7040576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H63 Cl2 Mn N2 O3 |
|---|---|
| Calculated formula | C57 H63 Cl2 Mn N2 O3 |
| Title of publication | The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity. |
| Authors of publication | Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 41 |
| Pages of publication | 16325 - 16334 |
| a | 22.958 ± 0.005 Å |
| b | 11.988 ± 0.002 Å |
| c | 18.415 ± 0.004 Å |
| α | 90° |
| β | 99.5 ± 0.03° |
| γ | 90° |
| Cell volume | 4998.7 ± 1.8 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0717 |
| Weighted residual factors for significantly intense reflections | 0.1838 |
| Weighted residual factors for all reflections included in the refinement | 0.2042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| 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. |
7040576.cif |
| 188167 | 2016-11-08 | cif/ Updating files of 7040576, 7040577 Original log message: Adding full bibliography for 7040576--7040577.cif. |
7040576.cif |
| 186204 | 2016-09-06 | cif/ Adding structures of 7040576, 7040577 via cif-deposit CGI script. |
7040576.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.