Information card for entry 1563918

Structure parameters

• Formula: C25 H27 N4 O7 V
• Calculated formula: C25 H27 N4 O7 V
• SMILES: [V]1234(OC(=N[N]3=C(C)C(=[N]4N=C(O1)c1ccc(OC)cc1)C)c1ccc(OC)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: 7.8843 ± 0.0004 Å
• b: 12.5167 ± 0.0007 Å
• c: 13.5651 ± 0.0007 Å
• α: 99.478 ± 0.002°
• β: 94.723 ± 0.002°
• γ: 95.263 ± 0.002°
• Cell volume: 1308.35 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No