Information card for entry 1566755

Structure parameters

• Formula: C366 H318 F54 N24 O94 Rh14 S18
• Calculated formula: C348 H318 N24 O40 Rh14
• Title of publication: Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies
• Authors of publication: Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 20.474 ± 0.005 Å
• b: 34.09 ± 0.009 Å
• c: 38.801 ± 0.01 Å
• α: 90°
• β: 105.086 ± 0.012°
• γ: 90°
• Cell volume: 26148 ± 12 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1552
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No