Information card for entry 7233566

Structure parameters

• Formula: C88 H160 Cd3 Cl12 La2 N48 O52
• Calculated formula: C88 H104 Cd3 Cl12 La2 N48 O40
• 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: 10.9409 ± 0.0012 Å
• b: 15.4091 ± 0.0017 Å
• c: 23.902 ± 0.003 Å
• α: 91.577 ± 0.001°
• β: 100.609 ± 0.001°
• γ: 110.048 ± 0.001°
• Cell volume: 3702.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No