Information card for entry 4307896

Structure parameters

• Formula: C11 H21 Cl2 N3 O2 S V
• Calculated formula: C11 H21 Cl2 N3 O2 S V
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N=[V]([NH](C)C)([NH](C)C)(Cl)Cl
• 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: 9.9919 ± 0.0008 Å
• b: 18.2905 ± 0.0013 Å
• c: 19.6658 ± 0.0016 Å
• α: 90°
• β: 101.128 ± 0.007°
• γ: 90°
• Cell volume: 3526.5 ± 0.5 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: 0.1073
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No