Information card for entry 7029698

Structure parameters

• Formula: C63 H64 N2 O8 V2
• Calculated formula: C63 H64 N2 O8 V2
• SMILES: [V]12([O]([V]3([OH]1)([N](=Cc1c(O3)c(C(c3ccccc3)(C)C)cc(C)c1)c1c(c3ccccc3OC)cccc1)=O)CCC)(=O)Oc1c(cc(cc1C=[N]2c1ccccc1c1c(OC)cccc1)C)C(C)(c1ccccc1)C
• 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: 9.83 ± 0.002 Å
• b: 13.423 ± 0.003 Å
• c: 21.429 ± 0.004 Å
• α: 92.36 ± 0.03°
• β: 100.78 ± 0.03°
• γ: 98.46 ± 0.03°
• Cell volume: 2740.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No