Information card for entry 7043454

Structure parameters

• Formula: C5 H14 Br3 O P Pb
• Calculated formula: C5 H14 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: 11.24 ± 0.002 Å
• b: 15.986 ± 0.003 Å
• c: 7.7734 ± 0.0016 Å
• α: 90°
• β: 97.15 ± 0.03°
• γ: 90°
• Cell volume: 1385.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No