Information card for entry 4003963

Structure parameters

• Common name: Hexylammonium Methylammonium Lead Bromide
• Formula: C13 H34 Br7 N3 Pb2
• Calculated formula: C13 H36 Br7 N3 Pb2
• Title of publication: Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites
• Authors of publication: Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 48.559 Å
• b: 8.328 Å
• c: 8.325 Å
• α: 90°
• β: 90.05°
• γ: 90°
• Cell volume: 3366.62 ų
• Cell temperature: 322.99 ± 0.14 K
• Ambient diffraction temperature: 322.99 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.2932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No