Information card for entry 4344719

Structure parameters

• Formula: C25 H21 N2 O5 V
• Calculated formula: C25 H21 N2 O5 V
• SMILES: c12c(c3ccccc3cc1)C(C)=[N]1N=C(c3cc4ccccc4cc3O)O[V]1(O2)(=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: 6.06519 ± 0.00007 Å
• b: 17.9476 ± 0.0003 Å
• c: 21.00558 ± 0.00019 Å
• α: 69.4104 ± 0.0011°
• β: 89.5791 ± 0.0008°
• γ: 88.6613 ± 0.001°
• Cell volume: 2139.93 ± 0.05 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: 0.0664
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No