Information card for entry 4071301

Structure parameters

• Formula: C21 H24 Br2 Cl2 N O3 V
• Calculated formula: C21 H24 Br2 Cl2 N O3 V
• SMILES: Brc1c2O[V](Cl)(Cl)([O]3CCCC3)([O]3CCCC3)[N](=Cc2cc(Br)c1)c1ccccc1
• 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: 7.7892 ± 0.0007 Å
• b: 11.996 ± 0.0011 Å
• c: 13.9022 ± 0.0013 Å
• α: 106.917 ± 0.001°
• β: 92.699 ± 0.001°
• γ: 103.18 ± 0.001°
• Cell volume: 1201.06 ± 0.19 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No