Information card for entry 8102242

Structure parameters

• Chemical name: η^5^-3,6-di-tert-butyl-4-(tris(pentafluorophenyl)boranyl-oxycarbonyl)- 5-(η^5^-tetramethylcyclopentadienyl-methyl-9,10,11-trimethyl- bicyclo(6.3.0)undeca-4-en-8,10-dienyl)-titanium toluene hemisolvate
• Formula: C54.5 H51 B F15 O2 Ti
• Calculated formula: C54.5 H51 B F15 O2 Ti
• Title of publication: Crystal structure of η5-3,6-di-tert-butyl-4-(tris(pentafluorophenyl)boranyl-oxycarbonyl)-5-(η5-tetramethylcyclopentadienyl-methyl-9,10,11-trimethyl-bicyclo(6.3.0)undeca-4-en-8,10-dienyl)titanium(III) toluene hemisolvate, Ti(C51H47BF15O2) · 0.5C7H8
• Authors of publication: Anke Spannenberg; Vladimir V. Burlakov; Uwe Rosenthal
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 61
• a: 11.603 ± 0.002 Å
• b: 12.872 ± 0.003 Å
• c: 18.142 ± 0.004 Å
• α: 76.47 ± 0.03°
• β: 77.99 ± 0.03°
• γ: 69.13 ± 0.03°
• Cell volume: 2438.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No