Information card for entry 4066238

Structure parameters

• Formula: C24 H39 Cl Si2 Ti
• Calculated formula: C24 H39 Cl Si2 Ti
• Title of publication: Reduction-Induced Exclusive Activation of theansa-1,2-Bis(dimethylsilylene)ethane Chain inansa-Permethyltitanocene Compounds§
• Authors of publication: Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5199
• a: 8.6733 ± 0.0003 Å
• b: 8.975 ± 0.0004 Å
• c: 16.973 ± 0.0005 Å
• α: 86.187 ± 0.002°
• β: 82.613 ± 0.002°
• γ: 70.6677 ± 0.0015°
• Cell volume: 1235.98 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No