Information card for entry 7708473

Structure parameters

• Formula: C78 H98 Ag12 N6 O22 S12
• Calculated formula: C78 H98 Ag12 N6 O22 S12
• Title of publication: Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers
• Authors of publication: Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 15.8862 ± 0.0001 Å
• b: 12.6096 ± 0.0001 Å
• c: 25.3661 ± 0.0002 Å
• α: 90°
• β: 94.189 ± 0.001°
• γ: 90°
• Cell volume: 5067.73 ± 0.07 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No