Information card for entry 7233575

Structure parameters

• Formula: C44 H52 Cd Cl4 N25 O26 Sm
• Calculated formula: C44 H52 Cd Cl4 N25 O26 Sm
• 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: 12.438 ± 0.004 Å
• b: 15.506 ± 0.005 Å
• c: 18.489 ± 0.006 Å
• α: 80.79 ± 0.004°
• β: 87.654 ± 0.004°
• γ: 87.463 ± 0.004°
• Cell volume: 3514 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No