Information card for entry 4071306

Structure parameters

• Formula: C38 H40 Br4 Cl N2 O5 V
• Calculated formula: C38 H40 Br4 Cl N2 O5 V
• SMILES: c12c(cc(cc1C=[N](c1ccccc1)[V]1(O2)([O]2CCCC2)([N](=Cc2c(c(cc(c2)Br)Br)O1)c1ccccc1)Cl)Br)Br.O1CCCC1.O1CCCC1
• 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: 23.1831 ± 0.0018 Å
• b: 10.0939 ± 0.0008 Å
• c: 16.7657 ± 0.0013 Å
• α: 90°
• β: 101.755 ± 0.001°
• γ: 90°
• Cell volume: 3841 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No