Information card for entry 4307898

Structure parameters

• Formula: C15 H15 Cl3 N3 V
• Calculated formula: C15 H15 Cl3 N3 V
• SMILES: c1cccc[n]1[V]([n]1ccccc1)([n]1ccccc1)(Cl)(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: 13.2975 ± 0.001 Å
• b: 8.5345 ± 0.0008 Å
• c: 15.5771 ± 0.0014 Å
• α: 90°
• β: 98.878 ± 0.01°
• γ: 90°
• Cell volume: 1746.6 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0754
• 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: No
• Has Fobs: No