Information card for entry 7010109

Structure parameters

• Formula: C32 H22 F20 N2 S4 Ti
• Calculated formula: C32 H22 F20 N2 S4 Ti
• Title of publication: Synthesis and structural characterisation of titanium(IV) thiolate compounds
• Authors of publication: Carmalt, Claire J.; Dinnage, Christopher W.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3500
• a: 15.2002 ± 0.0012 Å
• b: 17.6154 ± 0.0012 Å
• c: 14.117 ± 0.002 Å
• α: 90°
• β: 91.179 ± 0.012°
• γ: 90°
• Cell volume: 3779.1 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1595
• Weighted residual factors for significantly intense reflections: 0.1427
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No