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Information card for entry 4075803
Preview
| Coordinates | 4075803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 9 |
|---|---|
| Chemical name | Cyclohexyl[N-(dimethylamino)trifluoroacetimidato-N,O][N-(methylamino)trifluoroacetimidato-N,O]silicon(IV) |
| Formula | C13 H20 F6 N4 O2 Si |
| Calculated formula | C13 H20 F6 N4 O2 Si |
| SMILES | [Si]12(OC(=NN2C)C(F)(F)F)(OC(=N[N]1(C)C)C(F)(F)F)C1CCCCC1 |
| Title of publication | Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1 |
| Authors of publication | Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 2913 |
| a | 8.0658 ± 0.0016 Å |
| b | 9.4973 ± 0.0019 Å |
| c | 12.373 ± 0.003 Å |
| α | 81.993 ± 0.003° |
| β | 73.243 ± 0.003° |
| γ | 83.597 ± 0.003° |
| Cell volume | 896.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 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. |
4075803.cif |
| 178647 | 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 4/07/58. |
4075803.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075803.cif |
| 50673 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075801, 4075802, 4075803 via cif-deposit CGI script. |
4075803.cif |
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