Information card for entry 7708431

Structure parameters

• Formula: C31 H36 Cl N3 O2 V
• Calculated formula: C31 H36 Cl N3 O2 V
• SMILES: [V]12(Cl)([N]3=C(OC[C@@H]3C(C)C)c3c(N1c1c(C=[N]2c2c(cccc2C(C)C)C(C)C)cccc1)cccc3)=O
• Title of publication: Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization
• Authors of publication: Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.0346 ± 0.0004 Å
• b: 16.8085 ± 0.0007 Å
• c: 17.3076 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2919.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No