Information card for entry 1571331

Structure parameters

• Formula: C28 H12 Bi2 Fe2 O23 S4
• Calculated formula: C28 H12 Bi2 Fe2 O23 S4
• Title of publication: An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.
• Authors of publication: Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 6860 - 6866
• a: 32.9343 ± 0.0014 Å
• b: 6.5367 ± 0.0003 Å
• c: 15.9709 ± 0.0007 Å
• α: 90°
• β: 93.563 ± 0.001°
• γ: 90°
• Cell volume: 3431.6 ± 0.3 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No