Information card for entry 7239444

Structure parameters

• Chemical name: Bis(5-methyl-4-benzoyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one)V(IV) acetonitrile solvate
• Formula: C38 H35 N5 O6 V
• Calculated formula: C38 H35 N5 O6 V
• Title of publication: Novel oxovanadium(iv) complexes with 4-acyl pyrazolone ligands: synthesis, crystal structure and catalytic activity towards the oxidation of benzylic alcohols
• Authors of publication: Parihar, Sanjay; Jadeja, R. N.; Gupta, Vivek K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 20
• Pages of publication: 10295
• a: 17.2079 ± 0.0007 Å
• b: 11.4667 ± 0.0005 Å
• c: 18.6877 ± 0.0008 Å
• α: 90°
• β: 105.196 ± 0.004°
• γ: 90°
• Cell volume: 3558.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No