Information card for entry 7029696

Structure parameters

• Formula: C54 H60 N2 O8 V2
• Calculated formula: C54 H60 N2 O8 V2
• SMILES: c12c(cc(cc1C=[N]([V]13(O2)(O[V]23([N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)c2ccccc2Oc2ccccc2)(O1)=O)=O)c1c(Oc2ccccc2)cccc1)C(C)(C)C)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: 11.9699 ± 0.0005 Å
• b: 15.6408 ± 0.0006 Å
• c: 13.9536 ± 0.0005 Å
• α: 90°
• β: 99.3405 ± 0.0006°
• γ: 90°
• Cell volume: 2577.74 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No