Information card for entry 4302079

Structure parameters

• Formula: C20 H34 Cl3 N3 O S6 Ti
• Calculated formula: C17.296 H29.166 N3 O4 S6 Ti
• Title of publication: Dithiocarbamate Complexes of Ti(IV) Alkoxides: Synthesis, Characterization, and Electrochemistry
• Authors of publication: Alberto Donzelli; Pierre G. Potvin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4171 - 4178
• a: 11.8259 ± 0.0003 Å
• b: 23.5185 ± 0.0006 Å
• c: 11.688 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250.75 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No