Information card for entry 4073190

Structure parameters

• Formula: C25 H45 Si2 Ti
• Calculated formula: C25 H45 Si2 Ti
• SMILES: [Ti]12345678([c]9([Si](C)(C)C)[c]1([c]2([c]3([c]49C)C)C)C)([c]1([Si](C)(C)C)[c]5([c]6([c]7([c]81C)C)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: 8.5124 ± 0.001 Å
• b: 9.0457 ± 0.0015 Å
• c: 19.055 ± 0.003 Å
• α: 95.941 ± 0.014°
• β: 91.303 ± 0.012°
• γ: 114.724 ± 0.013°
• Cell volume: 1322 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No