Information card for entry 4133829

Structure parameters

• Formula: C80 H Bi4 O32 S24
• Calculated formula: C80 H16 Bi4 O32 S24
• Title of publication: Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.
• Authors of publication: García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 24.257 ± 0.005 Å
• b: 15.144 ± 0.003 Å
• c: 10.676 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3921.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No