Information card for entry 4074420

Structure parameters

• Common name: 9a
• Chemical name: Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O) chlorosiliconium iodide
• Formula: C10 H16 Cl F6 I N4 O2 Si
• Calculated formula: C10 H16 Cl F6 I N4 O2 Si
• SMILES: C1[N+](C)(C)N=C(C(F)(F)F)O[Si]21(Cl)C[N+](C)(C)N=C(C(F)(F)F)O2.[I-]
• Title of publication: Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1
• Authors of publication: Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5416
• a: 10.0587 ± 0.0016 Å
• b: 10.3751 ± 0.0018 Å
• c: 18.348 ± 0.003 Å
• α: 90°
• β: 101.543 ± 0.005°
• γ: 90°
• Cell volume: 1876.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No