Information card for entry 7029694

Structure parameters

• Formula: C72 H68 N2 O5 V
• Calculated formula: C72 H68 N2 O5 V
• SMILES: [V]12(Oc3c(cc(cc3C=[N]1c1c(c3c(Oc4ccccc4)cccc3)cccc1)C)C13CC4CC(C3)CC(C1)C4)(Oc1c(C=[N]2c2ccccc2c2ccccc2Oc2ccccc2)cc(cc1C12CC3CC(C2)CC(C1)C3)C)=O
• 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: 13.457 ± 0.003 Å
• b: 15.049 ± 0.003 Å
• c: 16.071 ± 0.003 Å
• α: 70.73 ± 0.03°
• β: 68.07 ± 0.03°
• γ: 79.53 ± 0.03°
• Cell volume: 2843.6 ± 1.3 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: 0.0731
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No