Information card for entry 7021607

Structure parameters

• Formula: C27 H33 N4 O8 V
• Calculated formula: C27 H33 N4 O8 V
• SMILES: [V]12(OC)(=O)(Oc3c(/C=N/NC(=O)c4ccccc4)cc(cc3C=[N]1N=C(O2)c1ccccc1)C)[OH]C.OC.OC
• Title of publication: Vanadium complexes having [VO](2+), [VO](3+) and [VO2](+) cores with hydrazones of 2,6-diformyl-4-methylphenol: synthesis, characterization, reactivity, and catalytic potential.
• Authors of publication: Maurya, Mannar R.; Haldar, Chanchal; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Costa Pessoa, João
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11941 - 11962
• a: 7.9044 ± 0.0002 Å
• b: 13.438 ± 0.0004 Å
• c: 14.3137 ± 0.0004 Å
• α: 64.434 ± 0.002°
• β: 86.071 ± 0.002°
• γ: 84.93 ± 0.002°
• Cell volume: 1365.38 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No