Information card for entry 7712301

Structure parameters

• Formula: C20 H22 Ba Cl2 N2 O14 V
• Calculated formula: C20 H22 Ba Cl2 N2 O14 V
• Title of publication: Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study.
• Authors of publication: Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.5816 ± 0.0004 Å
• b: 12.2757 ± 0.0004 Å
• c: 12.4432 ± 0.0004 Å
• α: 61.585 ± 0.001°
• β: 62.339 ± 0.001°
• γ: 71.137 ± 0.001°
• Cell volume: 1366.16 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.39 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No