Information card for entry 4331756

Structure parameters

• Chemical name: Bis-{η^2^-[1,1,1,3,3,5,5,5-octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]}-η^1^-bis(pentafluorophenyl)-η^2^-oxo-dititanium
• Formula: C40 H84 F10 O5 Si14 Ti2
• Calculated formula: C40 H84 F10 O5 Si14 Ti2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Ti]1(O[Ti]2(c3c(c(c(c(c3F)F)F)F)F)O[Si]([Si](C)(C)[Si](O2)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si]([Si](C)(C)[Si](O1)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†
• Authors of publication: Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3203 - 3211
• a: 12.7493 ± 0.0003 Å
• b: 12.7949 ± 0.0003 Å
• c: 12.9031 ± 0.0003 Å
• α: 84.047 ± 0.001°
• β: 76.721 ± 0.001°
• γ: 62.455 ± 0.001°
• Cell volume: 1816.34 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No