Information card for entry 7233571

Structure parameters

• Formula: C56 H108 Cd2 Cl12 Ho2 N24 O38
• Calculated formula: C56 H62 Cd2 Cl12 Ho2 N24 O26
• Title of publication: The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands
• Authors of publication: Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 37
• Pages of publication: 5641
• a: 20.532 ± 0.01 Å
• b: 15.111 ± 0.007 Å
• c: 17.84 ± 0.009 Å
• α: 90°
• β: 122.546 ± 0.005°
• γ: 90°
• Cell volume: 4666 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No