Information card for entry 1566987

Structure parameters

• Formula: C12 H48 As8 N12 Ni2 O26 V6
• Calculated formula: C12 H48 As8 N12 Ni2 O26 V6
• Title of publication: Composition-driven archetype dynamics in polyoxovanadates
• Authors of publication: Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 20.3058 ± 0.0005 Å
• b: 20.3058 ± 0.0005 Å
• c: 24.3847 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10054.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No