Information card for entry 4128335

Structure parameters

• Formula: C66 H70 Ag2 F6 Ir2 N16 O6 S2
• Calculated formula: C54 H52 Ag2 F6 Ir2 N10 O6 S2
• SMILES: c12c3[n]4[Ir]5678([n]1c1c(n2[Ag]2n9c%10c%11[n](c%12c(n%11[Ag]2n3c2c4cccc2)cccc%12)[Ir]234%11([n]%10c%10ccccc9%10)([N]#CC)[c]9([c]2([c]3([c]4([c]%119C)C)C)C)C)cccc1)([N]#CC)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.
• Authors of publication: Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 16057 - 16063
• a: 9.1921 ± 0.0005 Å
• b: 13.8664 ± 0.0007 Å
• c: 15.1426 ± 0.0007 Å
• α: 83.111 ± 0.002°
• β: 82.152 ± 0.002°
• γ: 77.693 ± 0.002°
• Cell volume: 1859.83 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No