Information card for entry 4003076

Structure parameters

• Common name: shs244m
• Formula: C7 H12 I4 N2 Pb
• Calculated formula: C7 H12 I4 N2 Pb
• Title of publication: Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells
• Authors of publication: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 890
• a: 6.3354 ± 0.0003 Å
• b: 19.8007 ± 0.0009 Å
• c: 12.5707 ± 0.0005 Å
• α: 90°
• β: 90.757 ± 0.002°
• γ: 90°
• Cell volume: 1576.8 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0309
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No