Information card for entry 8000500

Structure parameters

• Formula: C9 H30 Br7 N3 Pb2
• Calculated formula: C9 H30 Br7 N3 Pb2
• Title of publication: Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.
• Authors of publication: Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4965 - 4971
• a: 39.173 ± 0.004 Å
• b: 8.3835 ± 0.0005 Å
• c: 8.3225 ± 0.0005 Å
• α: 90°
• β: 90.789 ± 0.007°
• γ: 90°
• Cell volume: 2732.9 ± 0.4 ų
• Cell temperature: 296.1 ± 0.2 K
• Ambient diffraction temperature: 296.1 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No