Information card for entry 4074422

Structure parameters

• Common name: 11a
• Chemical name: Di(Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O)disiloxane-dication dichloride
• Formula: C24 H38 Cl2 F12 N10 O5 Si2
• Calculated formula: C24 H38 Cl2 F12 N10 O5 Si2
• SMILES: [Si]12(OC(=N[N+](C1)(C)C)C(F)(F)F)(OC(=N[N+](C2)(C)C)C(F)(F)F)O[Si]12(OC(=N[N+](C1)(C)C)C(F)(F)F)OC(=N[N+](C2)(C)C)C(F)(F)F.[Cl-].[Cl-].N#CC.N#CC
• 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: 10.4375 ± 0.0006 Å
• b: 18.3791 ± 0.001 Å
• c: 20.7842 ± 0.0011 Å
• α: 90°
• β: 95.229 ± 0.001°
• γ: 90°
• Cell volume: 3970.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0861
• 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