Information card for entry 2215108

Structure parameters

• Chemical name: Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-\ tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate
• Formula: C22 H23 N4 O3 S2 V
• Calculated formula: C22 H23 N4 O3 S2 V
• SMILES: S1[V]2(=O)(=O)[n]3c(cccc3)C(=[N]2N=C1Nc1ccc(cc1)C)c1ccccc1.S(=O)(C)C
• Title of publication: Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate
• Authors of publication: Mendes, Isolda C.; Speziali, Nivaldo L.; Beraldo, Heloisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2391 - m2391
• a: 13.9269 ± 0.0013 Å
• b: 15.399 ± 0.002 Å
• c: 22.133 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4746.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes