Information card for entry 4348129

Structure parameters

• Chemical name: oxovandium {(Z)-N-((E)-1-(2-oxidonaphthalen-1-yl)ethylidene)benzohydrazonate} ethanoate
• Formula: C21 H19 N2 O4 V
• Calculated formula: C21 H19 N2 O4 V
• SMILES: c12ccc3ccccc3c1C(C)=[N]1N=C(c3ccccc3)O[V]1(O2)(=O)OCC
• Title of publication: Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.
• Authors of publication: Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8407 - 8421
• a: 10.0073 ± 0.0019 Å
• b: 15.0465 ± 0.0018 Å
• c: 13.023 ± 0.002 Å
• α: 90°
• β: 91.581 ± 0.015°
• γ: 90°
• Cell volume: 1960.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No