Information card for entry 4066239

Structure parameters

• Formula: C34 H55 O Si2 Ti
• Calculated formula: C34 H55 O Si2 Ti
• SMILES: [Ti]123456789([c]%10([Si](CC[Si]([c]%115[c]6([c]7([c]8([c]9%11C)C)C)C)(C)C)(C)C)[c]1([c]2([c]3([c]4%10C)C)C)C)OC12CC3CC(C2)CC(C1)C3
• 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: 10.0777 ± 0.0002 Å
• b: 10.6875 ± 0.0002 Å
• c: 16.9165 ± 0.0003 Å
• α: 96.7496 ± 0.001°
• β: 96.6288 ± 0.001°
• γ: 113.766 ± 0.001°
• Cell volume: 1629.15 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0577
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0991
• 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