Information card for entry 4322974

Structure parameters

• Formula: C17 H22 Cl O2 Ti
• Calculated formula: C17 H22 Cl O1.5 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: 9.582 ± 0.005 Å
• b: 15.692 ± 0.004 Å
• c: 11.796 ± 0.004 Å
• α: 90°
• β: 103.77 ± 0.03°
• γ: 90°
• Cell volume: 1722.7 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 2.65
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No