Information card for entry 7032619

Structure parameters

• Formula: C26.33 H31 N2.67 O3 V
• Calculated formula: C26.3333 H31 N2.66667 O3 V
• SMILES: [V]12(=O)(=O)Oc3c(cc(cc3C=[N]1c1cccc3c1[n]2c(cc3)C)C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: Tri- and tetra-dentate imine vanadyl complexes: synthesis, structure and ethylene polymerization/ring opening polymerization capability.
• Authors of publication: Ma, Jing; Zhao, Ke-Qing; Walton, Mark; Wright, Joseph A.; Hughes, David L.; Elsegood, Mark R. J.; Michiue, Kenji; Sun, Xinsen; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16698 - 16706
• a: 26.127 ± 0.017 Å
• b: 10.845 ± 0.008 Å
• c: 26.44 ± 0.02 Å
• α: 90°
• β: 91.646 ± 0.012°
• γ: 90°
• Cell volume: 7489 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1764
• Residual factor for significantly intense reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No