Information card for entry 4003959

Structure parameters

• Common name: Heptylammonium Methylammonium Lead Bromide
• Formula: C15 H39 Br7 N3 Pb2
• Calculated formula: C15 H39 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: 49.493 ± 0.0015 Å
• b: 8.3269 ± 0.0002 Å
• c: 8.3253 ± 0.0002 Å
• α: 90°
• β: 90.008 ± 0.002°
• γ: 90°
• Cell volume: 3431.05 ± 0.16 ų
• Cell temperature: 296.99 ± 0.11 K
• Ambient diffraction temperature: 296.99 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: 0.1035
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for significantly intense reflections: 2.92
• Goodness-of-fit parameter for all reflections included in the refinement: 2.21
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No