Information card for entry 4063985

Structure parameters

• Formula: C24 H41 S Si2 Ti
• Calculated formula: C24 H41 S Si2 Ti
• SMILES: [Ti]123456789(S)[c]%10([c]1([c]2([c]3([c]4%10[Si](CC[Si]([c]19[c]5([c]6([c]7([c]81C)C)C)C)(C)C)(C)C)C)C)C)C
• Title of publication: Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes
• Authors of publication: Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1034
• a: 8.747 ± 0.0002 Å
• b: 9.7057 ± 0.0002 Å
• c: 16.4333 ± 0.0004 Å
• α: 84.3085 ± 0.0011°
• β: 77.8313 ± 0.0014°
• γ: 68.3827 ± 0.0012°
• Cell volume: 1267.5 ± 0.05 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: 0.0374
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No