Information card for entry 2229809

Structure parameters

• Chemical name: [<i>N</i>'-(5-Bromo-2-oxidobenzylidene-κ<i>O</i>)-2- chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol- κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)
• Formula: C16 H15 Br Cl N2 O5 V
• Calculated formula: C16 H15 Br Cl N2 O5 V
• SMILES: [V]12([N](N=C(O2)c2c(Cl)cccc2)=Cc2c(O1)ccc(Br)c2)(OC)(=O)[OH]C
• Title of publication: [<i>N</i>'-(5-Bromo-2-oxidobenzylidene-κ<i>O</i>)-2-chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)
• Authors of publication: Wang, Fu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m433 - m434
• a: 28.09 ± 0.02 Å
• b: 7.992 ± 0.006 Å
• c: 20.163 ± 0.014 Å
• α: 90°
• β: 121.854 ± 0.007°
• γ: 90°
• Cell volume: 3845 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No