Information card for entry 4133188

Structure parameters

• Formula: C44 H89.5 Cl1.5 F6 N2 O19 S2 V6
• Calculated formula: C44.75 H89.5 Cl1.5 F6 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: 13.357 ± 0.003 Å
• b: 15.425 ± 0.003 Å
• c: 15.865 ± 0.003 Å
• α: 87.435 ± 0.003°
• β: 82.492 ± 0.003°
• γ: 73.74 ± 0.003°
• Cell volume: 3110.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No