Information card for entry 4066236

Structure parameters

• Formula: C24 H38 Si2 Ti
• Calculated formula: C24 H38 Si2 Ti
• SMILES: C[c]12[c]3([Ti]456789%10%11%121[CH](=[CH]%12[Si]([c]15[c]6([c]7([c]9([c]%111C)C)C)C)(C)C)[Si](C)([c]24[c]%10([c]38C)C)C)C
• 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: 9.113 ± 0.0002 Å
• b: 15.7688 ± 0.0005 Å
• c: 16.683 ± 0.0004 Å
• α: 90°
• β: 104.722 ± 0.0018°
• γ: 90°
• Cell volume: 2318.66 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No