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Information card for entry 2233523
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| Coordinates | 2233523.cif |
|---|---|
| Structure factors | 2233523.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1,4,4-Tetra-<i>tert</i>-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane |
|---|---|
| Formula | C40 H56 Cl2 Si4 |
| Calculated formula | C40 H56 Cl2 Si4 |
| SMILES | C(C)(C)([Si](Cl)(C(C)(C)C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)[Si](C(C)(C)C)(C(C)(C)C)Cl)C |
| Title of publication | 1,1,4,4-Tetra-<i>tert</i>-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane |
| Authors of publication | Otsuka, Kyohei; Ishida, Shintaro; Kyushin, Soichiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o424 |
| a | 9.6981 ± 0.0008 Å |
| b | 15.3893 ± 0.0011 Å |
| c | 13.8546 ± 0.0011 Å |
| α | 90° |
| β | 105.772 ± 0.0007° |
| γ | 90° |
| Cell volume | 1989.9 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/35. |
2233523.cif 2233523.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233523.cif 2233523.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233523.cif 2233523.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233523.cif 2233523.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233523.cif 2233523.hkl |
| 38319 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233523 via cif-deposit CGI script. |
2233523.cif |
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Users of the data should acknowledge the original authors of the
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