Information card for entry 1557437

Structure parameters

• Formula: C172 H168 Ca F21 N24 O30 Rh6 S7
• Calculated formula: C169 H168 Ca F12 N24 O21 Rh6 S4
• 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: 23.302 ± 0.005 Å
• b: 23.302 ± 0.005 Å
• c: 21.347 ± 0.004 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 120 ± 0.03°
• Cell volume: 10038 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No