Information card for entry 7007920

Structure parameters

• Formula: C22 H34 S Ti
• Calculated formula: C22 H34 S Ti
• Title of publication: The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation.
• Authors of publication: Manz, Thomas A.; Fenwick, Andrew E.; Phomphrai, Khamphee; Rothwell, Ian P.; Thomson, Kendall T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 668 - 674
• a: 32.44 ± 0.003 Å
• b: 8.3708 ± 0.0003 Å
• c: 15.9783 ± 0.0013 Å
• α: 90°
• β: 102.689 ± 0.003°
• γ: 90°
• Cell volume: 4232.9 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No