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Information card for entry 2242346
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| Coordinates | 2242346.cif |
|---|---|
| Structure factors | 2242346.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5,15-Bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate |
|---|---|
| Formula | C58 H42 N8 O8 |
| Calculated formula | C58 H42 N8 O8 |
| Title of publication | Crystal structure of 5,15-bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate |
| Authors of publication | Baptayev, Bakhytzhan; Adilov, Salimgerey |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 55 - 58 |
| a | 7.957 ± 0.003 Å |
| b | 9.656 ± 0.003 Å |
| c | 16.568 ± 0.005 Å |
| α | 76.71 ± 0.005° |
| β | 79.44 ± 0.005° |
| γ | 78.173 ± 0.005° |
| Cell volume | 1200.1 ± 0.7 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1737 |
| Weighted residual factors for all reflections included in the refinement | 0.1893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0465 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205726 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2242346 via cif-deposit CGI script. |
2242346.cif 2242346.hkl |
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Users of the data should acknowledge the original authors of the
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