Information card for entry 4515266

Structure parameters

• Formula: C85 H88 I10 N12 O16 Pb3
• Calculated formula: C85 H88 I10 N12 O16 Pb3
• Title of publication: Naphthalene Diimide Ammonium Directed Single-Crystalline Perovskites with “Atypical” Ambipolar Charge Transport Signatures in Two-Dimensional Limit
• Authors of publication: Li, Xiaomin; Yang, Jin; Song, Ziyi; Chen, Ruiping; Ma, Lulu; Li, Haining; Jia, Jiong; Meng, Jiao; Li, Xuan; Yi, Mingdong; Sun, Xuan
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2018
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 4467
• a: 12.882 ± 0.004 Å
• b: 61.295 ± 0.015 Å
• c: 16.037 ± 0.004 Å
• α: 90°
• β: 106.93 ± 0.004°
• γ: 90°
• Cell volume: 12114 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No