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Information card for entry 7122798
Preview
| Coordinates | 7122798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H92 Cl4 Mn2 N8 O18 |
|---|---|
| Calculated formula | C74 H92 Cl4 Mn2 N8 O18 |
| 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 | 19.481 ± 0.005 Å |
| b | 9.679 ± 0.005 Å |
| c | 22.85 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 95.489 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4289 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0878 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212906 (current) | 2019-01-11 | cif/ Adding structures of 7122796, 7122797, 7122798 via cif-deposit CGI script. |
7122798.cif |
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Users of the data should acknowledge the original authors of the
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