Information card for entry 7029689

Structure parameters

• Formula: C48 H62 N4 O5 V
• Calculated formula: C48 H62 N4 O5 V
• SMILES: [V]12(Oc3c(cc(cc3C=[N]2c2ccc(OC)cc2)C(C)(C)C)C(C)(C)C)(Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C=[N]1c1ccc(OC)cc1)=O.CC#N.N#CC
• Title of publication: Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.
• Authors of publication: Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8300 - 8310
• a: 10.979 ± 0.002 Å
• b: 13.256 ± 0.003 Å
• c: 15.575 ± 0.003 Å
• α: 101.47 ± 0.03°
• β: 91.71 ± 0.03°
• γ: 92.44 ± 0.03°
• Cell volume: 2217.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No