Information card for entry 4307892

Structure parameters

• Formula: C22 H38 N6 O4 S2 Ti2
• Calculated formula: C22 H38 N6 O4 S2 Ti2
• SMILES: c1(ccc(cc1)C)S1(=[N]2[Ti]([N]3=S(c4ccc(cc4)C)(=O)O[Ti]32(N(C)C)N(C)C)(N(C)C)(N(C)C)O1)=O
• Title of publication: Reaction of p-Toluenesulfonylamide and M(NMe2)4 (M = Ti, V): Generation of Electron-Deficient Imido Complexes of Early Transition Metals
• Authors of publication: Christian Lorber; Robert Choukroun; Laure Vendier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3192 - 3202
• a: 8.0903 ± 0.001 Å
• b: 21.086 ± 0.002 Å
• c: 9.5039 ± 0.0012 Å
• α: 90°
• β: 114.395 ± 0.013°
• γ: 90°
• Cell volume: 1476.5 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No