Information card for entry 7703333

Structure parameters

• Formula: C28 H42 K2.69 N6 O27.48 V3
• Calculated formula: C28 H41 K2.695 N6 O27.507 V3
• Title of publication: Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.
• Authors of publication: Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2589 - 2609
• a: 12.3971 ± 0.001 Å
• b: 14.4307 ± 0.0011 Å
• c: 14.4835 ± 0.0011 Å
• α: 99.742 ± 0.004°
• β: 106.683 ± 0.004°
• γ: 106.122 ± 0.004°
• Cell volume: 2295.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No