Information card for entry 4063991

Structure parameters

• Formula: C40 H60 S4 Ti4
• Calculated formula: C40 H60 S4 Ti4
• 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: 12.1267 ± 0.0004 Å
• b: 12.1267 ± 0.0004 Å
• c: 14.2866 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2100.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No