Information card for entry 7713282

Structure parameters

• Chemical name: 1
• Formula: C27 H39 N2 O3 V
• Calculated formula: C27 H39 N2 O3 V
• SMILES: [V]1(OC(C)C)(OC(C)C)(=O)[n]2cccc3CCC=C(N1c1c(cccc1C(C)C)C(C)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: 18.683 ± 0.003 Å
• b: 14.963 ± 0.002 Å
• c: 19.074 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5332.2 ± 1.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No