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Information card for entry 2243251
Preview
| Coordinates | 2243251.cif |
|---|---|
| Structure factors | 2243251.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloroform monosolvate |
|---|---|
| Formula | C45 H3 Br8 Cl3 F20 N4 |
| Calculated formula | C45 H3 Br8 Cl3 F20 N4 |
| 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 | 15.5162 ± 0.0007 Å |
| b | 6.8288 ± 0.0003 Å |
| c | 24.5631 ± 0.0012 Å |
| α | 90° |
| β | 104.683 ± 0.001° |
| γ | 90° |
| Cell volume | 2517.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0241 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0422 |
| Weighted residual factors for all reflections included in the refinement | 0.0433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
2243251.cif 2243251.hkl |
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Users of the data should acknowledge the original authors of the
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