Information card for entry 7207182

Structure parameters

• Formula: C80 H64 Cs6 N2 O39 Pb6
• Calculated formula: C80 H59.94 Cs6 N2 O38.99 Pb6
• Title of publication: Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU
• Authors of publication: Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 936
• a: 16.231 ± 0.003 Å
• b: 16.231 ± 0.003 Å
• c: 24.466 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5581.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.2407
• 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: Yes
• Has Fobs: No