Information card for entry 4071303

Structure parameters

• Formula: C32 H32 Cl N2 O3 V
• Calculated formula: C32 H32 Cl N2 O3 V
• SMILES: [V]12(Cl)([N](=Cc3ccccc3O1)c1ccc(C)cc1)([N](=Cc1c(O2)cccc1)c1ccc(C)cc1)[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: 12.3342 ± 0.0007 Å
• b: 13.3442 ± 0.0007 Å
• c: 17.9276 ± 0.001 Å
• α: 90°
• β: 103.048 ± 0.001°
• γ: 90°
• Cell volume: 2874.5 ± 0.3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No