Information card for entry 4345552

Structure parameters

• Formula: C39 H61 Cl4 N2 O3 Y
• Calculated formula: C39 H61 Cl4 N2 O3 Y
• Title of publication: Recyclable Single-Component Rare-Earth Metal Catalysts for Cycloaddition of CO2 and Epoxides at Atmospheric Pressure
• Authors of publication: Zhao, Zhiwen; Qin, Jie; Zhang, Chen; Wang, Yaorong; Yuan, Dan; Yao, Yingming
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 12.5613 ± 0.0007 Å
• b: 15.5216 ± 0.0008 Å
• c: 23.5331 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4588.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No