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Information card for entry 4070936
Preview
| Coordinates | 4070936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H90 Si10 |
|---|---|
| Calculated formula | C36 H90 Si10 |
| SMILES | [Si]12([Si]([Si]1([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)([Si]2([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C |
| Title of publication | Synthesis, Structure, and Facile Ring Flipping of a Bicyclo[1.1.0]tetrasilane |
| Authors of publication | Ueba-Ohshima, Kiyomi; Iwamoto, Takeaki; Kira, Mitsuo |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 320 |
| a | 12.114 ± 0.003 Å |
| b | 33.003 ± 0.007 Å |
| c | 13.766 ± 0.003 Å |
| α | 90° |
| β | 111.041 ± 0.001° |
| γ | 90° |
| Cell volume | 5137 ± 2 Å3 |
| Cell temperature | 123.2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.321 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070936.cif |
| 178598 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09. |
4070936.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070936.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070936.cif |
| 42863 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070936, 4070937 via cif-deposit CGI script. |
4070936.cif |
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Users of the data should acknowledge the original authors of the
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