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Information card for entry 3500040
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| Coordinates | 3500040.cif |
|---|---|
| Structure factors | 3500040.hkl |
| Common name | hexa(bromomethyl)benzene |
|---|---|
| Chemical name | Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)- |
| Formula | C12 H12 Br6 |
| Calculated formula | C12 H12 Br6 |
| Title of publication | hexa(bromomethyl)benzene |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2019 |
| a | 16.3767 ± 0.0004 Å |
| b | 16.3767 ± 0.0004 Å |
| c | 5.3443 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1241.29 ± 0.05 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0158 |
| Residual factor for significantly intense reflections | 0.0152 |
| Weighted residual factors for significantly intense reflections | 0.0368 |
| Weighted residual factors for all reflections included in the refinement | 0.0372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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 |
|---|---|---|---|
| 245331 (current) | 2019-12-18 | cif/ hkl/ Updating files of 3500040 Original log message: Changed Title |
3500040.cif 3500040.hkl |
| 186683 | 2016-09-21 | cif/ hkl/ Adding structures of 3500040 via cif-deposit CGI script. |
3500040.cif 3500040.hkl |
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Users of the data should acknowledge the original authors of the
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