Information card for entry 2231602

Structure parameters

• Chemical name: [3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1- ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V)
• Formula: C20 H18 Cl N2 O5 V
• Calculated formula: C20 H18 Cl N2 O5 V
• SMILES: [V]12([N](N=C(O2)c2cc(Cl)ccc2)=Cc2c(O1)ccc1ccccc21)(OC)([OH]C)=O
• Title of publication: [3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1-ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V)
• Authors of publication: Wang, Fu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1254
• a: 12.872 ± 0.003 Å
• b: 7.613 ± 0.002 Å
• c: 20.695 ± 0.003 Å
• α: 90°
• β: 98.931 ± 0.003°
• γ: 90°
• Cell volume: 2003.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes