Information card for entry 7039687

Structure parameters

• Formula: C24 H32 Cl4 N2 O4 V
• Calculated formula: C24 H32 Cl4 N2 O4 V
• SMILES: [V]123(Oc4c(C[N]3(CC[N]2(C)C)Cc2c(O1)c(Cl)cc(Cl)c2)cc(Cl)cc4Cl)(OC(C)C)OC(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: 9.3618 ± 0.0003 Å
• b: 12.2726 ± 0.0004 Å
• c: 12.4098 ± 0.0004 Å
• α: 88.813 ± 0.001°
• β: 72.816 ± 0.001°
• γ: 78.888 ± 0.001°
• Cell volume: 1335.62 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No