Information card for entry 1566756

Structure parameters

• Formula: C122 H100 F18 N4 O26 Rh4 S6
• Calculated formula: C118.667 H100 F8 N4 O16 Rh4 S2.66667
• SMILES: c12O[Rh]34567(Oc8c9c(c%10c(c18)c(c1c2cccc1)O[Rh]128%11([n]%12ccc(cc%12)C#Cc%12ccc(cc%12)C#Cc%12cc[n](cc%12)[Rh]%12%13%14%15%16(Oc%17c%18c(c%19c%20c%17c(c%17c(c%20O[Rh]%20%21%22%23([n]%24ccc(cc%24)C#Cc%24ccc(cc%24)C#Cc%24cc[n]7cc%24)(O%19)[c]7([c]%21(C)[c]%23([c]%20([c]%227C)C)C)C)cccc%17)O%12)cccc%18)[c]7([c]%15(C)[c]%16([c]%14([c]%137C)C)C)C)(O%10)[c]7([c]2(C)[c]%11([c]1([c]87C)C)C)C)cccc9)[c]1([c]5(C)[c]6([c]4([c]31C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F.FC(F)(S(=O)(=O)[O-])F
• Title of publication: Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies
• Authors of publication: Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 23.67 ± 0.002 Å
• b: 36.843 ± 0.003 Å
• c: 25.731 ± 0.002 Å
• α: 90°
• β: 112.251 ± 0.004°
• γ: 90°
• Cell volume: 20768 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.18
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.2638
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No