Information card for entry 1566988

Structure parameters

• Formula: C12 As8 N12 Ni2 O45 V12
• Calculated formula: C12 As8 N12 Ni2 O45 V12
• 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: 23.1578 ± 0.0005 Å
• b: 11.9216 ± 0.0003 Å
• c: 11.7372 ± 0.0004 Å
• α: 90°
• β: 95.2333 ± 0.0016°
• γ: 90°
• Cell volume: 3226.88 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 R(I) for significantly intense reflections: 3.66
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.563913 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No