Information card for entry 7214980

Structure parameters

• Formula: C66 H104 N46 O59 Sm2
• Calculated formula: C66 H66 N46 O51 Sm2
• Title of publication: Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril
• Authors of publication: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 7994
• a: 15.273 ± 0.002 Å
• b: 21.836 ± 0.003 Å
• c: 16.089 ± 0.002 Å
• α: 90°
• β: 101.622 ± 0.004°
• γ: 90°
• Cell volume: 5255.7 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No