Information card for entry 4343889

Structure parameters

• Formula: C9 H17 Br3 N2 Pb
• Calculated formula: C9 H17 Br3 N2 Pb
• Title of publication: ABX3-Type Organic-Inorganic Hybrid Phase Transition Material: 1-Pentyl-3-methylimidazolium Tribromoplumbate.
• Authors of publication: Chen, Tianliang; Zhou, Yuelan; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Tang, Yuanyuan; Ji, Chengmin; Luo, Junhua
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7136 - 7138
• a: 9.5489 ± 0.0001 Å
• b: 8.009 ± 0.0001 Å
• c: 20.2425 ± 0.0003 Å
• α: 90°
• β: 99.979 ± 0.002°
• γ: 90°
• Cell volume: 1524.67 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No