Information card for entry 7233567

Structure parameters

• Formula: C44 H84 Cd2 Cl10 N24 Nd2 O28
• Calculated formula: C44 H80 Cd2 Cl8 N24 Nd2 O27
• 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: 12.023 ± 0.006 Å
• b: 12.837 ± 0.006 Å
• c: 13.44 ± 0.006 Å
• α: 79.253 ± 0.006°
• β: 64.689 ± 0.007°
• γ: 81.772 ± 0.007°
• Cell volume: 1837.6 ± 1.5 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: 0.1749
• Residual factor for significantly intense reflections: 0.1368
• Weighted residual factors for significantly intense reflections: 0.4014
• Weighted residual factors for all reflections included in the refinement: 0.4402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No