Information card for entry 4307894

Structure parameters

• Formula: C26 H54 Cl2 N8 O4 S2 Ti2
• Calculated formula: C26 H54 Cl2 N8 O4 S2 Ti2
• SMILES: c1(ccc(C)cc1)S1(=[O][Ti](N(C)C)([NH](C)C)(Cl)(=NS(c2ccc(cc2)C)(=O)=[O][Ti](=N1)(N(C)C)([NH](C)C)([NH](C)C)Cl)[NH](C)C)=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: 9.6076 ± 0.0007 Å
• b: 12.2159 ± 0.0009 Å
• c: 15.8021 ± 0.0012 Å
• α: 90°
• β: 97.555 ± 0.006°
• γ: 90°
• Cell volume: 1838.5 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No