Information card for entry 7032620

Structure parameters

• Formula: C33 H33 N5 O2 V
• Calculated formula: C33 H33 N5 O2 V
• SMILES: [V]123(=O)[n]4c(ccc5cccc([N]1=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c45)c1n3c2ccccc2n1.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: 11.813 ± 0.0004 Å
• b: 14.8706 ± 0.0004 Å
• c: 17.5707 ± 0.0007 Å
• α: 90°
• β: 103.12 ± 0.003°
• γ: 90°
• Cell volume: 3006.01 ± 0.18 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.1205
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No