Information card for entry 2212048

Structure parameters

• Chemical name: 5,5-Dimethyl-2,2-bis(pentafluorophenyl)-4,4,6,6-tetrakis(trimethylsilyl)- 1,3-dioxa-4,5,6-trisila-2-titanacyclohexane
• Formula: C26 H42 F10 O2 Si7 Ti
• Calculated formula: C26 H42 F10 O2 Si7 Ti
• SMILES: [Ti]1(O[Si]([Si](C)(C)C)([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)O1)(C)C)[Si](C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: 5,5-Dimethyl-2,2-bis(pentafluorophenyl)-4,4,6,6-tetrakis(trimethylsilyl)-1,3-dioxa-4,5,6-trisila-2-titanacyclohexane
• Authors of publication: Krempner, Clemens; Weichert, Katja; Reinke, Helmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m356 - m357
• a: 11.3299 ± 0.0002 Å
• b: 19.1104 ± 0.0003 Å
• c: 19.7235 ± 0.0004 Å
• α: 90°
• β: 102.039 ± 0.001°
• γ: 90°
• Cell volume: 4176.58 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes