Information card for entry 1557438

Structure parameters

• Formula: C333 H250 F35 K2 N99 O100 Rh12 S7
• Calculated formula: C335 F24 K2 N48 O43 Rh12 S8
• Title of publication: s-Block metal ions induce structural transformations between figure-eight and double trefoil knots
• Authors of publication: Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1226 - 1232
• a: 22.5096 ± 0.0015 Å
• b: 25.221 ± 0.002 Å
• c: 39.36 ± 0.003 Å
• α: 72.977 ± 0.003°
• β: 89.886 ± 0.004°
• γ: 76.76 ± 0.004°
• Cell volume: 20747 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2025
• Residual factor for significantly intense reflections: 0.1885
• Weighted residual factors for significantly intense reflections: 0.4726
• Weighted residual factors for all reflections included in the refinement: 0.4884
• Goodness-of-fit parameter for all reflections included in the refinement: 2.124
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No