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Information card for entry 2019711
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| Coordinates | 2019711.cif |
|---|---|
| Structure factors | 2019711.hkl |
| Original IUCr paper | HTML |
| Chemical name | hexabromodisilane |
|---|---|
| Formula | Br6 Si2 |
| Calculated formula | Br6 Si2 |
| SMILES | Br[Si](Br)(Br)[Si](Br)(Br)Br |
| Title of publication | Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures |
| Authors of publication | Berger, Matthias; Auner, Norbert; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1088 - 1091 |
| a | 6.6327 ± 0.001 Å |
| b | 11.4385 ± 0.0014 Å |
| c | 7.5069 ± 0.0012 Å |
| α | 90° |
| β | 108.488 ± 0.012° |
| γ | 90° |
| Cell volume | 540.14 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1056 |
| Residual factor for significantly intense reflections | 0.093 |
| Weighted residual factors for significantly intense reflections | 0.209 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019711.cif 2019711.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019711.cif 2019711.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019711.cif 2019711.hkl |
| 128092 | 2014-12-04 | cif/ Updating files of 2019711, 2019712 Original log message: Adding full bibliography for 2019711--2019712.cif. |
2019711.cif 2019711.hkl |
| 125824 | 2014-10-25 | cif/ hkl/ Adding structures of 2019711, 2019712 via cif-deposit CGI script. |
2019711.cif 2019711.hkl |
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Users of the data should acknowledge the original authors of the
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