Information card for entry 4322980

Structure parameters

• Formula: C34 H44 Cl2 O2 Ti2
• Calculated formula: C34 H44 Cl2 O2 Ti2
• 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: 12.513 ± 0.003 Å
• b: 17.003 ± 0.002 Å
• c: 16.112 ± 0.003 Å
• α: 90°
• β: 90.94 ± 0.02°
• γ: 90°
• Cell volume: 3427.5 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No