Information card for entry 4334034

Structure parameters

• Formula: C29 H34 Cl4 N3 V
• Calculated formula: C29 H34 Cl4 N3 V
• SMILES: [V]1(Cl)(Cl)(=NC23CC4CC(C2)CC(C3)C4)[n]2cccc3cccc(c23)CN1c1c(cccc1C)C.ClCCl
• 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: 8.9224 ± 0.0002 Å
• b: 10.11 ± 0.0003 Å
• c: 16.7358 ± 0.0005 Å
• α: 77.7248 ± 0.0007°
• β: 85.5932 ± 0.0007°
• γ: 74.3597 ± 0.0007°
• Cell volume: 1420.22 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No