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Information card for entry 4066935
Preview
| Coordinates | 4066935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H80 Si12 |
|---|---|
| Calculated formula | C28 H80 Si12 |
| SMILES | C([Si]1(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C[Si](C1)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Synthesis and Characterization of {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives |
| Authors of publication | Berkefeld, André; Troegel, Dennis; Burschka, Christian; Tacke, Reinhold |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4548 |
| a | 19.2212 ± 0.0015 Å |
| b | 26.902 ± 0.002 Å |
| c | 19.271 ± 0.0014 Å |
| α | 90° |
| β | 95.416 ± 0.004° |
| γ | 90° |
| Cell volume | 9920.3 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4066935.cif |
| 178561 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/69. |
4066935.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066935.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066935.cif |
| 34027 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066931, 4066932, 4066933, 4066934, 4066935 via cif-deposit CGI script. |
4066935.cif |
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Users of the data should acknowledge the original authors of the
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