Information card for entry 4325932

Structure parameters

• Formula: C60 H140 Cl9 N40 O65 Sm3
• Calculated formula: C60 H60 Cl9 N40 O30 Sm3
• Title of publication: Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril
• Authors of publication: Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7754 - 7760
• a: 13.955 ± 0.004 Å
• b: 14.408 ± 0.004 Å
• c: 34.004 ± 0.01 Å
• α: 95.933 ± 0.003°
• β: 96.422 ± 0.003°
• γ: 118.848 ± 0.003°
• Cell volume: 5853 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No