Information card for entry 1549184

Structure parameters

• Formula: C7 H15 I3 N2 Pb
• Calculated formula: C6.4998 H14.9988 I3 N2 Pb
• Title of publication: Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI₃ showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
• Authors of publication: Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 34
• Pages of publication: 4321 - 4324
• a: 10.4821 ± 0.0003 Å
• b: 10.4821 ± 0.0003 Å
• c: 8.1053 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 771.25 ± 0.06 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No