Information card for entry 1553652

Structure parameters

• Chemical name: 1-Methylpyridinium iodobismuthate
• Formula: C6 H8 Bi I4 N
• Calculated formula: C6 H8 Bi I4 N
• Title of publication: Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications
• Authors of publication: Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil
• Journal of publication: Sustainable Energy & Fuels
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 308
• a: 7.7618 ± 0.0005 Å
• b: 14.0412 ± 0.0008 Å
• c: 13.1959 ± 0.0008 Å
• α: 90°
• β: 92.959 ± 0.006°
• γ: 90°
• Cell volume: 1436.24 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No