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Information card for entry 2019601
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| Coordinates | 2019601.cif |
|---|---|
| Structure factors | 2019601.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,1,2,2-Tetra-<i>tert</i>-butyl-1,2-diphenyldisilane |
|---|---|
| Formula | C28 H46 Si2 |
| Calculated formula | C28 H46 Si2 |
| SMILES | [Si]([Si](c1ccccc1)(C(C)(C)C)C(C)(C)C)(c1ccccc1)(C(C)(C)C)C(C)(C)C |
| Title of publication | A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane |
| Authors of publication | Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 697 - 701 |
| a | 9.024 ± 0.0011 Å |
| b | 17.566 ± 0.002 Å |
| c | 18.961 ± 0.003 Å |
| α | 116.476 ± 0.006° |
| β | 95.018 ± 0.007° |
| γ | 90.263 ± 0.01° |
| Cell volume | 2676.9 ± 0.6 Å3 |
| Cell temperature | 157 ± 2 K |
| Ambient diffraction temperature | 157 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1053 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019601.cif 2019601.hkl |
| 180864 | 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 2/01/96. |
2019601.cif 2019601.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. |
2019601.cif 2019601.hkl |
| 121401 | 2014-08-06 | cif/ Updating files of 2019600, 2019601 Original log message: Adding full bibliography for 2019600--2019601.cif. |
2019601.cif 2019601.hkl |
| 117973 | 2014-06-23 | cif/ hkl/ Adding structures of 2019600, 2019601 via cif-deposit CGI script. |
2019601.cif 2019601.hkl |
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Users of the data should acknowledge the original authors of the
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