Information card for entry 4329055

Structure parameters

• Formula: C40 H50 N4 O4 S2 Ti
• Calculated formula: C40 H50 N4 O4 S2 Ti
• Title of publication: Titanium(IV) Complexes of Disulfide-Linked Schiff Bases
• Authors of publication: Alberto Donzelli; Imir Metushi; Pierre G. Potvin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5138 - 5145
• a: 16.3908 ± 0.0007 Å
• b: 11.9907 ± 0.0004 Å
• c: 20.1174 ± 0.0008 Å
• α: 90°
• β: 91.946 ± 0.002°
• γ: 90°
• Cell volume: 3951.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No