Information card for entry 7043455

Structure parameters

• Formula: C5 Br3 O P Pb
• Calculated formula: C5 Br3 O P Pb
• Title of publication: Photoluminescent-dielectric duple switch in a perovskite-type high-temperature phase transition compound: [(CH3)3PCH2OCH3][PbBr3]
• Authors of publication: Geng, Fu-Juan; Wu, De-Hong; Zhou, Lin; Shi, Ping-Ping; Li, Peng-fei; Gao, Jixing; Zheng, Xuan; Fu, Da-Wei; Ye, Qiong
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.27 ± 0.03 Å
• b: 17.79 ± 0.05 Å
• c: 7.95 ± 0.02 Å
• α: 90°
• β: 90.034 ± 0.0012°
• γ: 90°
• Cell volume: 1452 ± 7 ų
• Cell temperature: 418 ± 2 K
• Ambient diffraction temperature: 418 ± 2 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: 0.3454
• Residual factor for significantly intense reflections: 0.2261
• Weighted residual factors for significantly intense reflections: 0.5483
• Weighted residual factors for all reflections included in the refinement: 0.5998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No