Information card for entry 4344718

Structure parameters

• Formula: C19 H17 N2 O5 V
• Calculated formula: C19 H17 N2 O5 V
• SMILES: [V]12(Oc3c(c4ccccc4cc3)C(C)=[N]1N=C(O2)c1ccco1)(=O)OCC
• Title of publication: Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.
• Authors of publication: Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1165 - 1182
• a: 8.345 ± 0.0006 Å
• b: 10.1037 ± 0.0007 Å
• c: 10.5931 ± 0.0007 Å
• α: 79.973 ± 0.003°
• β: 81.273 ± 0.002°
• γ: 78.461 ± 0.002°
• Cell volume: 855.39 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No