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Information card for entry 3500072
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| Coordinates | 3500072.cif |
|---|---|
| Structure factors | 3500072.hkl |
| Chemical name | 2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane |
|---|---|
| Formula | C18 H12 B3 F3 O3 |
| Calculated formula | C18 H12 B3 F3 O3 |
| Title of publication | 2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 3.8295 ± 0.0002 Å |
| b | 20.8392 ± 0.0008 Å |
| c | 10.4262 ± 0.0004 Å |
| α | 90° |
| β | 97.142 ± 0.002° |
| γ | 90° |
| Cell volume | 825.59 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1531 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245326 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500072 Original log message: Added Title |
3500072.cif 3500072.hkl |
| 197528 | 2017-06-05 | cif/ hkl/ Adding structures of 3500072 via cif-deposit CGI script. |
3500072.cif 3500072.hkl |
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Users of the data should acknowledge the original authors of the
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