Information card for entry 4115555

Structure parameters

• Common name: 9a
• Chemical name: (1-((1,1-dimethyl-2-trifluoroacetyl)hydrazonim)methyl-C,O) methyldichlorosilicon(IV)
• Formula: C6 H11 Cl2 F3 N2 O Si
• Calculated formula: C6 H11 Cl2 F3 N2 O Si
• SMILES: C(F)(F)(F)C1O[Si](C[N+](N=1)(C)C)(Cl)(Cl)C
• Title of publication: Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons
• Authors of publication: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4709 - 4716
• a: 12.487 ± 0.002 Å
• b: 7.1123 ± 0.0006 Å
• c: 13.738 ± 0.002 Å
• α: 90°
• β: 98.68 ± 0.08°
• γ: 90°
• Cell volume: 1206.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No