Information card for entry 7029691

Structure parameters

• Formula: C44 H50 F6 N2 O5 V
• Calculated formula: C44 H50 F6 N2 O5 V
• SMILES: [V]12(=O)(Oc3c(C=[N]2c2ccccc2OC(F)(F)F)cc(C(C)(C)C)cc3C(C)(C)C)Oc2c(cc(C(C)(C)C)cc2C=[N]1c1c(OC(F)(F)F)cccc1)C(C)(C)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: 14.096 ± 0.003 Å
• b: 15.274 ± 0.003 Å
• c: 24.527 ± 0.005 Å
• α: 87.65 ± 0.03°
• β: 75.73 ± 0.03°
• γ: 64.15 ± 0.03°
• Cell volume: 4592 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.303
• Weighted residual factors for all reflections included in the refinement: 0.3372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No