Information card for entry 7218101

Structure parameters

• Chemical name: 4,4',4''-((1E,1'E,1''E)-((nitrilotris(ethane-2,1-diyl))tris (azanylylidene))tris(methanylylidene))tris(3-methyl-1- (p-tolyl)-1H-pyrazol-5-ol)vanadium(III)
• Formula: C45 H52 N11 O4 V
• Calculated formula: C45 H52.02 N11 O3.99 V
• Title of publication: C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone
• Authors of publication: Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 15.5913 ± 0.0004 Å
• b: 15.5913 ± 0.0004 Å
• c: 10.147 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2136.16 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No