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Information card for entry 4067733
Preview
| Coordinates | 4067733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H75 K O6 Si9 |
|---|---|
| Calculated formula | C29 H75 K O6 Si9 |
| SMILES | [K]12345([Si]([Si]6([Si]([Si]([Si]([Si]([Si]6(C)C)(C)C)(C)C)(C)C)(C)C)C)([Si](C)(C)C)[Si](C)(C)C)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
| Title of publication | Cyclic and Bicyclic Methylpolysilanes and Some Oligosilanylene-Bridged Derivatives |
| Authors of publication | Wallner, Andreas; Hlina, Johann; Konopa, Tina; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Flörke, Ulrich |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2660 |
| a | 10.144 ± 0.002 Å |
| b | 21.284 ± 0.004 Å |
| c | 22.641 ± 0.005 Å |
| α | 90° |
| β | 96.56 ± 0.03° |
| γ | 90° |
| Cell volume | 4856.3 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1506 |
| Residual factor for significantly intense reflections | 0.1065 |
| Weighted residual factors for significantly intense reflections | 0.2143 |
| Weighted residual factors for all reflections included in the refinement | 0.2374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| 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. |
4067733.cif |
| 178568 | 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 4/06/77. |
4067733.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067733.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067733.cif |
| 34279 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067727, 4067728, 4067729, 4067730, 4067731, 4067732, 4067733, 4067734, 4067735, 4067736 via cif-deposit CGI script. |
4067733.cif |
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Users of the data should acknowledge the original authors of the
structural data.