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Information card for entry 4068053
Preview
| Coordinates | 4068053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H48 Cl4 N4 Si2 |
|---|---|
| Calculated formula | C31 H48 Cl4 N4 Si2 |
| SMILES | Cl[Si]1(Cl)([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)C[Si]1(Cl)(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C |
| Title of publication | A Remarkable End-On Activation of Diazoalkane and Cleavage of Both C–Cl Bonds of Dichloromethane with a Silylene to a Single Product with Five-Coordinate Silicon Atoms |
| Authors of publication | Sen, Sakya S.; Hey, Jakob; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 435 |
| a | 14.8427 ± 0.0007 Å |
| b | 13.6256 ± 0.0007 Å |
| c | 17.5591 ± 0.0008 Å |
| α | 90° |
| β | 100.029 ± 0.002° |
| γ | 90° |
| Cell volume | 3496.9 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
4068053.cif |
| 178506 | 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 4/06/80. |
4068053.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068053.cif |
| 38070 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4068053 via cif-deposit CGI script. |
4068053.cif |
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Users of the data should acknowledge the original authors of the
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