Information card for entry 7014459

Structure parameters

• Formula: C13 H10 I3 N3 Pb
• Calculated formula: C13 H10 I3 N3 Pb
• Title of publication: Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.
• Authors of publication: Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1672 - 1683
• a: 20.114 ± 0.002 Å
• b: 20.114 ± 0.002 Å
• c: 7.9255 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2776.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No