Information card for entry 7039688

Structure parameters

• Formula: C40 H68 N2 O4 V
• Calculated formula: C40 H68 N2 O4 V
• SMILES: C[N]1(CC[N]23Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[V]13(Oc1c(C2)cc(cc1C(C)(C)C)C(C)(C)C)(OC(C)C)OC(C)C)C
• Title of publication: Isoprene polymerization mediated by vanadium-[ONNO] complexes.
• Authors of publication: Phuphuak, Yupin; Bonnet, Fanny; Vendier, Laure; Lorber, Christian; Zinck, Philippe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12069 - 12077
• a: 14.3277 ± 0.0006 Å
• b: 16.065 ± 0.0008 Å
• c: 19.7602 ± 0.001 Å
• α: 80.983 ± 0.002°
• β: 89.501 ± 0.002°
• γ: 70.128 ± 0.002°
• Cell volume: 4219.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No