Information card for entry 4003869

Structure parameters

• Formula: C4 Br8 N8 Pb2
• Calculated formula: C4 Br8 N8 Pb2
• Title of publication: FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite
• Authors of publication: Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 8.5642 ± 0.0017 Å
• b: 11.884 ± 0.002 Å
• c: 14.312 ± 0.003 Å
• α: 65.92 ± 0.03°
• β: 73.01 ± 0.03°
• γ: 83.76 ± 0.03°
• Cell volume: 1271.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.162
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.3545
• Goodness-of-fit parameter for significantly intense reflections: 2.77
• Goodness-of-fit parameter for all reflections included in the refinement: 2.5
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No