Information card for entry 7713283

Structure parameters

• Chemical name: 1
• Formula: C23 H31 N2 O3 V
• Calculated formula: C23 H31 N2 O3 V
• SMILES: [V]1(OC(C)C)(OC(C)C)(=O)[n]2cccc3CCC=C(N1c1c(cccc1C)C)c23
• Title of publication: Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.
• Authors of publication: Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 8636 - 8644
• a: 29.341 ± 0.002 Å
• b: 29.341 ± 0.002 Å
• c: 10.4047 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8957.3 ± 1.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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