Information card for entry 1568297

Structure parameters

• Formula: C43 H106 N2 O19 V6
• Calculated formula: C43 H106 N2 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: 11.9826 ± 0.0001 Å
• b: 11.9965 ± 0.0001 Å
• c: 13.4313 ± 0.0001 Å
• α: 95.106 ± 0.001°
• β: 115.57 ± 0.001°
• γ: 113.864 ± 0.001°
• Cell volume: 1509.23 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No