Information card for entry 4070341

Structure parameters

• Formula: C68.5 H93.5 B F15 O12 Si8 Ti
• Calculated formula: C68.5 H93.5 B F15 O12 Si8 Ti
• Title of publication: Pentamethylcyclopentadienylmethyltitanium Silsesquioxanes and Their Zwitterionic Complexes with Tris(pentafluorophenyl)borane
• Authors of publication: Varga, Vojtech; Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6944
• a: 14.5433 ± 0.0003 Å
• b: 15.8531 ± 0.0003 Å
• c: 19.9883 ± 0.0004 Å
• α: 104.114 ± 0.0011°
• β: 92.3741 ± 0.0009°
• γ: 113.056 ± 0.0011°
• Cell volume: 4063.61 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No