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Information card for entry 1547625
Preview
| Coordinates | 1547625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H72 N6 Ni O P S2 |
|---|---|
| Calculated formula | C75 H72 N6 Ni O P S2 |
| Title of publication | Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton |
| Authors of publication | Osuka, Atsuhiro; Fujimoto, Keisuke |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 41.875 ± 0.009 Å |
| b | 12.116 ± 0.002 Å |
| c | 33.342 ± 0.007 Å |
| α | 90° |
| β | 127.805 ± 0.004° |
| γ | 90° |
| Cell volume | 13366 ± 5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201841 (current) | 2017-10-07 | cif/ Adding structures of 1547617, 1547618, 1547619, 1547620, 1547621, 1547622, 1547623, 1547624, 1547625, 1547626 via cif-deposit CGI script. |
1547625.cif |
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Users of the data should acknowledge the original authors of the
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