Information card for entry 2240011

Structure parameters

• Common name: {(VOLaOME)2}
• Chemical name: Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[<i>N</i>'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']oxidovanadium(V)]
• Formula: C32 H30 N4 O8 S2 V2
• Calculated formula: C32 H30 N4 O8 S2 V2
• SMILES: [V]123(=O)([N](=C(C=C(O2)c2ccccc2)C)N=C(c2cccs2)O1)[O](C)[V]12(=O)([N](=C(C=C(O2)c2ccccc2)C)N=C(c2cccs2)O1)[O]3C
• Title of publication: Crystal structure of di-μ-methanolato-bis[<i>N</i>'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']oxidovanadium(V)]
• Authors of publication: Carroccia, Murilo C.; Pesci, Rafaela B. P.; da Maia, Pedro Ivo; Deflon, Victor M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: m353 - m354
• a: 10.99 ± 0.0002 Å
• b: 15.9297 ± 0.0003 Å
• c: 11.0178 ± 0.0003 Å
• α: 90°
• β: 119.884 ± 0.001°
• γ: 90°
• Cell volume: 1672.39 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes