Information card for entry 1558593

Structure parameters

• Formula: C156 H163 F12 N16 O34 Rh4 S4
• Calculated formula: C151 H127 F9 N16 O17 Rh4 S3
• Title of publication: Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot
• Authors of publication: Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 14.7048 ± 0.0006 Å
• b: 20.1231 ± 0.0009 Å
• c: 28.5603 ± 0.0012 Å
• α: 105.589 ± 0.002°
• β: 95.648 ± 0.002°
• γ: 100.981 ± 0.002°
• Cell volume: 7890.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No