Information card for entry 4133187

Structure parameters

• Formula: C48 H103.6 Cl1.6 N2 O19.8 S2 V6
• Calculated formula: C44 H92.248 N2 O19 S2 V6
• Title of publication: Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.
• Authors of publication: Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 48
• Pages of publication: 16635 - 16640
• a: 25.81 ± 0.0012 Å
• b: 25.81 ± 0.0014 Å
• c: 26.8358 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15481.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No