Information card for entry 4325934

Structure parameters

• Formula: C60 H118 Cl4 N45 O64 Sm3
• Calculated formula: C60 H60 Cl4 N45 O43 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: 20.855 ± 0.003 Å
• b: 19.54 ± 0.003 Å
• c: 26.642 ± 0.004 Å
• α: 90°
• β: 112.022 ± 0.004°
• γ: 90°
• Cell volume: 10065 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.277
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No