Information card for entry 7032618

Structure parameters

• Formula: C25 H29 N2 O3 V
• Calculated formula: C25 H29 N2 O3 V
• SMILES: c1(ccc2cccc3c2[n]1[V]1([N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(=O)=O)C
• 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: 11.9806 ± 0.0004 Å
• b: 10.2865 ± 0.0004 Å
• c: 17.9031 ± 0.0012 Å
• α: 90°
• β: 98.769 ± 0.007°
• γ: 90°
• Cell volume: 2180.56 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No