Information card for entry 1560666

Structure parameters

• Formula: C60 H100 Cd2 Cl8 N25 O28 Tb
• Calculated formula: C60 H72 Cd2 Cl8 N25 O26 Tb
• 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: 19.0204 ± 0.0016 Å
• b: 21.1359 ± 0.0018 Å
• c: 23.165 ± 0.0019 Å
• α: 90°
• β: 109.292 ± 0.001°
• γ: 90°
• Cell volume: 8789.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No