Information card for entry 7029699

Structure parameters

• Formula: C51 H56 N2 O8 V2
• Calculated formula: C51 H56 N2 O8 V2
• SMILES: [V]12([O]([V]3(=O)(Oc4c(C(C)(C)C)cccc4C=[N]3c3ccccc3c3c(OC)cccc3)[OH]1)CCC)(=O)Oc1c(C(C)(C)C)cccc1C=[N]2c1ccccc1c1c(OC)cccc1
• 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: 10.169 ± 0.002 Å
• b: 12.96 ± 0.003 Å
• c: 20.218 ± 0.004 Å
• α: 71.25 ± 0.03°
• β: 71.42 ± 0.03°
• γ: 74.94 ± 0.03°
• Cell volume: 2354.6 ± 1 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: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No