Information card for entry 7049702

Structure parameters

• Formula: C6 H8 Br2 N2 O2 Pb
• Calculated formula: C6 H8 Br2 N2 O2 Pb
• Title of publication: PbX₂(OOCMMIm) (X = Cl, Br): photoluminescent organic-inorganic hybrid lead halide compounds with high proton conductivity.
• Authors of publication: Gong, Liao-Kuo; Du, Ke-Zhao; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6690 - 6694
• a: 8.3012 ± 0.0004 Å
• b: 18.5784 ± 0.0007 Å
• c: 7.9673 ± 0.0003 Å
• α: 90°
• β: 113.157 ± 0.005°
• γ: 90°
• Cell volume: 1129.74 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No