Information card for entry 7241917

Structure parameters

• Formula: C2 H12 I4 N6 Pb
• Calculated formula: C2 H12 I4 N6 Pb
• Title of publication: Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells
• Authors of publication: Jung, Mi-Hee
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1181 - 1200
• a: 9.3165 ± 0.0011 Å
• b: 27.144 ± 0.003 Å
• c: 12.8713 ± 0.0014 Å
• α: 90°
• β: 90.699 ± 0.005°
• γ: 90°
• Cell volume: 3254.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No