Information card for entry 7238510

Structure parameters

• Formula: C50 H92 Cl2 N21 O29 Sm
• Calculated formula: C50 H60 Cl2 N20 O12 Sm
• Title of publication: Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation
• Authors of publication: Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6983
• a: 27.1046 ± 0.0013 Å
• b: 18.3417 ± 0.0009 Å
• c: 30.4416 ± 0.0015 Å
• α: 90°
• β: 114.564 ± 0.002°
• γ: 90°
• Cell volume: 13764.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No