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Information card for entry 4064072
Preview
| Coordinates | 4064072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H82 Si12 |
|---|---|
| Calculated formula | C28 H82 Si12 |
| SMILES | C[Si](C)(C)[Si](C[Si](C)(C)C)([Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone. |
| Authors of publication | Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 15 |
| Pages of publication | 3930 - 3938 |
| a | 8.0514 ± 0.0016 Å |
| b | 32.411 ± 0.007 Å |
| c | 9.924 ± 0.002 Å |
| α | 90° |
| β | 111.07 ± 0.03° |
| γ | 90° |
| Cell volume | 2416.6 ± 1 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 | 0.0814 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (current) | 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 4/06/40. |
4064072.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064072.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064072.cif |
| 32775 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064069, 4064070, 4064071, 4064072, 4064073 via cif-deposit CGI script. |
4064072.cif |
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Users of the data should acknowledge the original authors of the
structural data.