Information card for entry 1568296

Structure parameters

• Formula: C31 H53 Co2 O19 V6
• Calculated formula: C31 H53 Co2 O19 V6
• Title of publication: Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.
• Authors of publication: Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1386 - 1396
• a: 16.8845 ± 0.0002 Å
• b: 41.326 ± 0.0006 Å
• c: 14.1744 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9890.5 ± 0.3 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2566
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No