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Information card for entry 7113399
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| Coordinates | 7113399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3 |
|---|---|
| Chemical name | Chloro(cyclohexyl)bis[N-(dimethylamino)trifluoroacetimidato-N,O]silicon(IV) |
| Formula | C14 H23 Cl F6 N4 O2 Si |
| Calculated formula | C14 H23 Cl F6 N4 O2 Si |
| SMILES | [Si]12(Cl)(OC(=N[N]1(C)C)C(F)(F)F)(OC(=N[N]2(C)C)C(F)(F)F)C1CCCCC1 |
| Title of publication | Neutral and ionic dissociation patterns in hexacoordinate silicon chelates: a model nucleophilic substitution at pentacoordinate silicon. |
| Authors of publication | Gostevskii, Boris; Adear, Keren; Sivaramakrishna, Akella; Silbert, Gilad; Stalke, Dietmar; Kocher, Nikolaus; Kalikhman, Inna; Kost, Daniel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2004 |
| Journal issue | 14 |
| Pages of publication | 1644 - 1645 |
| a | 7.806 ± 0.002 Å |
| b | 9.205 ± 0.003 Å |
| c | 28.156 ± 0.008 Å |
| α | 90° |
| β | 94.228 ± 0.006° |
| γ | 90° |
| Cell volume | 2017.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0317 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7113399.cif |
| 180247 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33. |
7113399.cif |
| 114625 | 2014-05-28 | cif/ Adding structures of 7113399 via cif-deposit CGI script. |
7113399.cif |
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Users of the data should acknowledge the original authors of the
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