Information card for entry 4135464

Structure parameters

• Chemical name: 202209d
• Formula: C82.7 H72 F4 N2.7 O9.3 Rh2.7 S1.3
• Calculated formula: C496 H432 F24 N16 O56 Rh16 S8
• Title of publication: Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands
• Authors of publication: Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 35.295 ± 0.003 Å
• b: 35.295 ± 0.003 Å
• c: 26.356 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32833 ± 5 ų
• Cell temperature: 141.68 K
• Ambient diffraction temperature: 141.68 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.3156
• Weighted residual factors for all reflections included in the refinement: 0.3676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2154
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No