Information card for entry 7055738

Structure parameters

• Formula: C10 H19 Br3 N2 Pb
• Calculated formula: C10 H19 Br3 N2 Pb
• Title of publication: Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]
• Authors of publication: Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing
• Journal of publication: New J. Chem.
• Year of publication: 2016
• a: 9.4917 ± 0.0006 Å
• b: 7.9842 ± 0.0005 Å
• c: 23.0848 ± 0.0012 Å
• α: 90°
• β: 109.062 ± 0.003°
• γ: 90°
• Cell volume: 1653.52 ± 0.17 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 5
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2622
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No