Information card for entry 1560663

Structure parameters

• Formula: C120 H216 Cd4 Cl16 N48 Nd2 O60
• Calculated formula: C120 H144 Cd4 Cl16 N48 Nd2 O44
• Title of publication: Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand
• Authors of publication: Zheng, Li-Mei; Liu, Jing-Xin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 45 - 49
• a: 18.916 ± 0.005 Å
• b: 21.139 ± 0.006 Å
• c: 23.229 ± 0.006 Å
• α: 90°
• β: 109.079 ± 0.005°
• γ: 90°
• Cell volume: 8778 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No