Information card for entry 4128723

Structure parameters

• Formula: C70 H86 Cl4 F12 N12 O14 Rh4 S4
• Calculated formula: C70 H86 Cl4 F12 N12 O14 Rh4 S4
• SMILES: [c]12([c]3([c]4([Rh]56713([n]1ccc(cc1)c1nnc(nn1)c1cc[n](cc1)[Rh]1389%10([c]%11([c]1([c]3([c]8([c]9%11C)C)C)C)C)[Cl][Rh]1389([c]%11([c]1([c]3(C)[c]8(C)[c]9%11C)C)C)([n]1ccc(cc1)c1nnc(nn1)c1cc[n](cc1)[Rh]1389([c]%11([c]1([c]3([c]8([c]9%11C)C)C)C)C)([Cl]6)[Cl]7)[Cl]%10)[c]4(C)[c]25C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.OC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].OC
• Title of publication: Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.
• Authors of publication: Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 23
• Pages of publication: 9160 - 9164
• a: 14.5778 ± 0.0007 Å
• b: 19.8862 ± 0.0009 Å
• c: 18.8713 ± 0.0009 Å
• α: 90°
• β: 111.907 ± 0.002°
• γ: 90°
• Cell volume: 5075.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No