Information card for entry 4074421

Structure parameters

• Common name: 9b
• Chemical name: Bis-(N,N-dimethyl-N-pivaloimidato-ammoniomethyl-C-O) chlorosiliconium chloride
• Formula: C16 H34 Cl2 N4 O2 Si
• Calculated formula: C16 H34 Cl2 N4 O2 Si
• SMILES: C1(C(C)(C)C)O[Si]2(C[N+](C)(C)N=1)(C[N+](C)(C)N=C(C(C)(C)C)O2)Cl.[Cl-]
• 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: 8.994 ± 0.002 Å
• b: 21.354 ± 0.004 Å
• c: 11.089 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2129.7 ± 1 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No