Information card for entry 7711969

Structure parameters

• Formula: C7 H17 Br3 Cl N Pb
• Calculated formula: C7 H17 Br3 Cl N Pb
• Title of publication: Design, synthesis, and characterization of a new hybrid organic-inorganic perovskite with a high-<i>T</i>_c dielectric transition.
• Authors of publication: Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Ge, Shuwang; Liu, Xianmin; Zhang, Yinan; Chen, Long; Hua, Xiu-Ni; Sun, Baiwang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 955 - 961
• a: 10.8678 ± 0.0004 Å
• b: 35.685 ± 0.0015 Å
• c: 7.7853 ± 0.0003 Å
• α: 90°
• β: 100.953 ± 0.001°
• γ: 90°
• Cell volume: 2964.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0862
• 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