Information card for entry 7708175

Structure parameters

• Common name: K3V3O3(pgal)3.2DMF
• Formula: C24 H23 K3 N2 O14 V3
• Calculated formula: C24 H23 K3 N2 O14 V3
• Title of publication: A tris-oxovanadium pyrogallate complex: synthesis, structure, and magnetic and electronic properties
• Authors of publication: Mkhadder, Hassan; Denis, Morgane; Giménez-Marqués, Mónica; Cañón-Mancisidor, Walter; Humbert, Bernard; Deunf, Elise; Poizot, Philippe; Devic, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.163 ± 0.0003 Å
• b: 26.1908 ± 0.0008 Å
• c: 15.0823 ± 0.0004 Å
• α: 90°
• β: 104.21 ± 0.003°
• γ: 90°
• Cell volume: 3125.87 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.67173 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No