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Information card for entry 7122796
Preview
| Coordinates | 7122796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H88 Cl2 Mn2 N8 |
|---|---|
| Calculated formula | C74 H88 Cl2 Mn2 N8 |
| Title of publication | Dimanganese(III) porphyrin dication diradical and its transformation to a μ-hydroxo porphyrin-oxophlorin heterodimer |
| Authors of publication | Kumar, Amit; Sil, Debangsu; Usman, Mohammad; Rath, Sankar Prasad |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 12.2256 ± 0.0019 Å |
| b | 13.0137 ± 0.0019 Å |
| c | 13.25 ± 0.0019 Å |
| α | 97.286 ± 0.004° |
| β | 101.38 ± 0.004° |
| γ | 106.26 ± 0.004° |
| Cell volume | 1946.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0988 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1605 |
| Weighted residual factors for all reflections included in the refinement | 0.1792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212906 (current) | 2019-01-11 | cif/ Adding structures of 7122796, 7122797, 7122798 via cif-deposit CGI script. |
7122796.cif |
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Users of the data should acknowledge the original authors of the
structural data.