Information card for entry 4071278

Structure parameters

• Formula: C22 H38 Cl2 Si2 Ti
• Calculated formula: C22 H38 Cl2 Si2 Ti
• SMILES: [c]12([c]3([c]4([Ti]5678923([c]1([c]47C)C)(Cl)([c]1([c]5([c]6([c]8([c]91C)C)C)C)[SiH](C)C)Cl)C)C)[SiH](C)C
• Title of publication: Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation
• Authors of publication: Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2635
• a: 18.3852 ± 0.0011 Å
• b: 8.1284 ± 0.0003 Å
• c: 16.4522 ± 0.001 Å
• α: 90°
• β: 96.183 ± 0.002°
• γ: 90°
• Cell volume: 2444.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No