Information card for entry 7009796

Structure parameters

• Formula: C66 H96 Cu6 N6 O60 Pr2
• Calculated formula: C66 H48 Cu6 N6 O60 Pr2
• Title of publication: The first lanthanide-templated molecular wheel containing six copper ions †
• Authors of publication: Zhang, Yuan-Jing; Ma, Bao-Qing; Gao, Song; Li, Jun-Ran; Liu, Qin-De; Wen, Ge-Hui; Zhang, Xi-Xiang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2249
• a: 18.186 ± 0.002 Å
• b: 18.186 ± 0.002 Å
• c: 18.186 ± 0.002 Å
• α: 69.784 ± 0.017°
• β: 69.784 ± 0.017°
• γ: 69.784 ± 0.017°
• Cell volume: 5118.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No