Information card for entry 4073189

Structure parameters

• Formula: C24 H40 Si2 Ti
• Calculated formula: C24 H40 Si2 Ti
• SMILES: [Ti]123456789%10([C]%11([C]1(C2([Si](C)(C)C)[C]3(=[C]4%11C)C)=[CH2]6)=[CH2]5)[c]1([c]7([c]8([Si](C)(C)C)[c]9([c]%101C)C)C)C
• Title of publication: Effect of the Trimethylsilyl Substituent on the Reactivity of Permethyltitanocene
• Authors of publication: Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Lönnecke, Peter; Kubišta, Jiří; Horáček, Michal; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3100
• a: 33.508 ± 0.0002 Å
• b: 12.132 ± 0.0002 Å
• c: 12.375 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5030.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No