Information card for entry 7031534

Structure parameters

• Formula: C33 H48 Cl0 N3 O4 V
• Calculated formula: C33 H48 N3 O4 V
• SMILES: [V]12(Oc3c(C[N]1(Cc1ncccc1)Cc1[n]2cccc1)cc(cc3C(C)(C)C)C(C)(C)C)(OCCC)(OCCC)=O
• Title of publication: [ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.
• Authors of publication: Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12926
• a: 40.3177 ± 0.0011 Å
• b: 40.3177 ± 0.0011 Å
• c: 11.1035 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15630.8 ± 1 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No