Information card for entry 1557441

Structure parameters

• Formula: C190 H252 Ba2 F30 N24 O60 Rh6 S14
• Calculated formula: C175 H184 Ba2 F18 N24 O32 Rh6 S7
• 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: 72.911 ± 0.005 Å
• b: 20.9282 ± 0.0014 Å
• c: 33.246 ± 0.002 Å
• α: 90°
• β: 106.419 ± 0.002°
• γ: 90°
• Cell volume: 48661 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.05 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No