Information card for entry 4068860

Structure parameters

• Formula: C40 H50 N2 O6 S2 Ti2
• Calculated formula: C40 H50 N2 O6 S2 Ti2
• Title of publication: Syntheses, Reactions, and Ethylene Polymerization of Titanium Complexes with [N, O, S] Ligands
• Authors of publication: Jia, Ai-Quan; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1872
• a: 12.349 ± 0.004 Å
• b: 15.935 ± 0.005 Å
• c: 12.185 ± 0.004 Å
• α: 90°
• β: 118.922 ± 0.004°
• γ: 90°
• Cell volume: 2098.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No