Information card for entry 4322977

Structure parameters

• Formula: C22 H34 O S5 Ti2
• Calculated formula: C22 H32 O S5 Ti
• Title of publication: Monocyclopentadienyl-Titanium Aryloxide Sulfide Complexes
• Authors of publication: Andrea V. Firth; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4726 - 4731
• a: 8.933 ± 0.006 Å
• b: 18.07 ± 0.01 Å
• c: 16.253 ± 0.004 Å
• α: 90°
• β: 90.54 ± 0.02°
• γ: 90°
• Cell volume: 2623 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.51
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No