Information card for entry 4071279

Structure parameters

• Formula: C30 H54 Si4 Ti
• Calculated formula: C30 H54 Si4 Ti
• SMILES: [Ti]123456789%10([c]%11([Si]([Si]([c]%125[c]6([c]7([c]8([c]9%12C)C)C)C)(C)C)(C)C)[c]1([c]2([c]3([c]4%11C)C)C)C)C(=C%10[Si](C)(C)C)[Si](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: 9.0743 ± 0.0002 Å
• b: 11.6767 ± 0.0004 Å
• c: 16.9712 ± 0.0005 Å
• α: 77.7294 ± 0.0014°
• β: 75.2076 ± 0.0016°
• γ: 75.1488 ± 0.0018°
• Cell volume: 1659.61 ± 0.09 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: 0.0709
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No