Information card for entry 1563920

Structure parameters

• Formula: C23 H21 N6 O9 V
• Calculated formula: C23 H21 N6 O9 V
• SMILES: [V]1234(OC(=N[N]3=C(C)C(=[N]4N=C(O1)c1ccc(N(=O)=O)cc1)C)c1ccc(N(=O)=O)cc1)([O]=C(C)C=C(O2)C)=O
• Title of publication: Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties
• Authors of publication: Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 329 - 336
• a: 11.6717 ± 0.001 Å
• b: 7.0841 ± 0.0005 Å
• c: 30.637 ± 0.003 Å
• α: 90°
• β: 94.814 ± 0.003°
• γ: 90°
• Cell volume: 2524.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No