Information card for entry 7123550

Structure parameters

• Formula: C60 H49 Fe2 I21 N12 Pb8
• Calculated formula: C60 H48 Fe2 I21 N12 Pb8
• Title of publication: Transition metal complex dye-sensitized 3D iodoplumbates: syntheses, structures and photoelectric properties
• Authors of publication: Yue, Cheng-Yang; Yue, Yun-Di; Sun, Hai-Xiao; Li, Dong-Yang; Lin, Na; Wang, Xin-Ming; Jin, Ying-Xue; Dong, Yu-Han; Jing, Zhi-Hong; Lei, Xiao-Wu
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.9674 ± 0.001 Å
• b: 14.5362 ± 0.0007 Å
• c: 19.6748 ± 0.001 Å
• α: 90°
• β: 117.547 ± 0.001°
• γ: 90°
• Cell volume: 5063.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No