Information card for entry 2204821

Structure parameters

• Chemical name: (N-Benzoyl-N-phenylhydroxlaminato-κ^2^O,O')oxo(salicylaldehyde isonicotinoylhydrazonato-κ^3^O,N,N')vanadium(IV) hexane hemisolvate
• Formula: C29 H27 N4 O5 V
• Calculated formula: C29 H27 N4 O5 V
• SMILES: c12c(C=[N]3NC(c4ccncc4)=[O][V]43(O1)([O]=C(N(O4)c1ccccc1)c1ccccc1)=O)cccc2.C(CCC)CC
• Title of publication: (<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxaminato-κ^2^<i>O,O</i>')(salicylaldehyde isonicotinoylhydrazonato-κ^3^<i>O,N,N</i>')vanadium(IV) hexane hemisolvate
• Authors of publication: Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1757 - m1758
• a: 10.071 ± 0.002 Å
• b: 12.016 ± 0.002 Å
• c: 12.966 ± 0.003 Å
• α: 102.92 ± 0.03°
• β: 98.52 ± 0.03°
• γ: 113.49 ± 0.03°
• Cell volume: 1352.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes