Information card for entry 4071297

Structure parameters

• Formula: C21 H26 Cl2 N O3 V
• Calculated formula: C21 H26 Cl2 N O3 V
• SMILES: [V]1(Cl)(Cl)([N](=Cc2c(O1)cccc2)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands
• Authors of publication: Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3840
• a: 7.4606 ± 0.0006 Å
• b: 11.4975 ± 0.0009 Å
• c: 13.9387 ± 0.0011 Å
• α: 109.77 ± 0.001°
• β: 90.049 ± 0.001°
• γ: 107.679 ± 0.001°
• Cell volume: 1064.85 ± 0.15 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No