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Information card for entry 2243252
Preview
| Coordinates | 2243252.cif |
|---|---|
| Structure factors | 2243252.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin tetrahydrofuran monosolvate |
|---|---|
| Formula | C48 H10 Br8 F20 N4 O |
| Calculated formula | C48 H10 Br8 F20 N4 O |
| Title of publication | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
| Authors of publication | Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| Pages of publication | 214 - 220 |
| a | 21.524 ± 0.009 Å |
| b | 9.545 ± 0.004 Å |
| c | 26.02 ± 0.011 Å |
| α | 90° |
| β | 107.426 ± 0.007° |
| γ | 90° |
| Cell volume | 5100 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246999 (current) | 2020-01-18 | cif/ hkl/ Adding structures of 2243251, 2243252 via cif-deposit CGI script. |
2243252.cif 2243252.hkl |
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