Information card for entry 4334033

Structure parameters

• Formula: C21 H22 Cl2 N3 V
• Calculated formula: C21 H22 Cl2 N3 V
• SMILES: [V]1(Cl)(Cl)(=Nc2c(cccc2)C)[n]2ccccc2CN1c1c(cccc1C)C
• Title of publication: Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization
• Authors of publication: Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2607 - 2614
• a: 7.76484 ± 0.00016 Å
• b: 14.4294 ± 0.0003 Å
• c: 36.7708 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4119.87 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No