Information card for entry 4071280

Structure parameters

• Formula: C22 H36 Cl Si2 Ti
• Calculated formula: C22 H36 Cl Si2 Ti
• SMILES: [c]12([c]3([Ti]456789%101(Cl)[c]([c]39C)([c]25C)[Si](C)(C)[Si]([c]14[c]%10([c]8([c]7([c]61C)C)C)C)(C)C)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: 14.8534 ± 0.0004 Å
• b: 9.8688 ± 0.0004 Å
• c: 16.7163 ± 0.0007 Å
• α: 90°
• β: 109.387 ± 0.003°
• γ: 90°
• Cell volume: 2311.42 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0626
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No