Information card for entry 4076856

Structure parameters

• Formula: C26 H42 Si2 Ti
• Calculated formula: C26 H42 Si2 Ti
• SMILES: [Ti]123456789%10%11[c]%12([c]1([c]2([c]3([c]4%12[Si](C[CH]5=[CH]6C[Si]([c]1%11[c]7([c]8([c]9([c]%101C)C)C)C)(C)C)(C)C)C)C)C)C
• Title of publication: Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)
• Authors of publication: Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2639
• a: 9.634 ± 0.0003 Å
• b: 10.754 ± 0.0004 Å
• c: 24.336 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.31 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No