Information card for entry 7029697

Structure parameters

• Formula: C73 H84 N6 O8 V2
• Calculated formula: C73 H84 N6 O8 V2
• SMILES: [V]12([OH][V]3([O]1CCC)(Oc1c(cc(cc1C=[N]3c1c(c3c(OC)cccc3)cccc1)C)C13CC4CC(CC(C1)C4)C3)=O)(=O)Oc1c(C34CC5CC(CC(C3)C5)C4)cc(cc1C=[N]2c1ccccc1c1c(OC)cccc1)C.CC#N.C(#N)C.C(#N)C.CC#N
• 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: 13.547 ± 0.003 Å
• b: 13.98 ± 0.003 Å
• c: 21.04 ± 0.004 Å
• α: 105.21 ± 0.03°
• β: 90.24 ± 0.03°
• γ: 117.26 ± 0.03°
• Cell volume: 3382 ± 1.7 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: 0.1386
• Weighted residual factors for significantly intense reflections: 0.3266
• Weighted residual factors for all reflections included in the refinement: 0.3335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No