Information card for entry 2209938

Structure parameters

• Common name: μ-dioxo-bis[Benzoyl pyridine N^4^, N^4^-(butane-1,4-diyl)thiosemicarbazonato- κ^3^ N,N',S]oxovanadium(V)
• Chemical name: Di-μ-dioxo-bis({1-[phenyl(2-pyridyl-κN)methylene]-2-(pyrrolidin-1- ylthiocarbonyl-κS)hydrazinato-κN^1^}oxovanadium(V))
• Formula: C34 H34 N8 O4 S2 V2
• Calculated formula: C34 H34 N8 O4 S2 V2
• SMILES: [n]12[V]34(=O)([N](=C(c5ccccc5)c2cccc1)N=C(N1CCCC1)S4)=[O][V]12([N](=C(c4ccccc4)c4[n]1cccc4)N=C(N1CCCC1)S2)(=[O]3)=O
• Title of publication: Di-μ-dioxo-bis({1-[phenyl(2-pyridyl-κ<i>N</i>)methylene]-2-(pyrrolidin-1-ylthiocarbonyl-κ<i>S</i>)hydrazinato-κ<i>N</i>^1^}oxovanadium(V))
• Authors of publication: A. Sreekanth; Hoong-Kun Fun; Rohith P. John; M. R. Prathapachandra Kurup; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1919 - m1921
• a: 10.3912 ± 0.0008 Å
• b: 17.4103 ± 0.0014 Å
• c: 11.0953 ± 0.0007 Å
• α: 90°
• β: 118.877 ± 0.005°
• γ: 90°
• Cell volume: 1757.7 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes