Information card for entry 4066237

Structure parameters

• Formula: C24 H40 Cl Si2 Ti
• Calculated formula: C24 H40 Cl Si2 Ti
• SMILES: [Ti]123456789(Cl)[c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)[Si](CC[Si]([c]15[c]6([c]7([c]8([c]91C)C)C)C)(C)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: 8.6462 ± 0.0003 Å
• b: 9.6866 ± 0.0002 Å
• c: 16.503 ± 0.0005 Å
• α: 84.7673 ± 0.0018°
• β: 78.7793 ± 0.0016°
• γ: 68.0239 ± 0.0017°
• Cell volume: 1256.98 ± 0.07 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: 0.0565
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No