Information card for entry 4134818

Structure parameters

• Formula: C7 H21 Br7 N4 Pb2
• Calculated formula: C7 H21 Br7 N4 Pb2
• Title of publication: Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb₂Br₇.
• Authors of publication: Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.0382 ± 0.0013 Å
• b: 8.4484 ± 0.0007 Å
• c: 8.4494 ± 0.0006 Å
• α: 90°
• β: 89.994 ± 0.0015°
• γ: 90°
• Cell volume: 1144.87 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.98 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No