Information card for entry 7056764

Structure parameters

• Formula: C5 H6 I3 N Pb
• Calculated formula: C5 H6 I3 N Pb
• Title of publication: Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties
• Authors of publication: Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 699
• a: 14.9571 ± 0.0012 Å
• b: 8.096 ± 0.0008 Å
• c: 9.8979 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1198.56 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No