Information card for entry 1566754

Structure parameters

• Formula: C134 H116 F30 N4 O38 Rh4 S10
• Calculated formula: C124 H116.5 N4 O8 Rh4
• SMILES: [Rh]123456(Oc7c8c9c(O[Rh]%10%11%12%13(Oc9c9c7cccc9)([n]7ccc(cc7)C#Cc7c(C)c(C)c(c(c7C)C)C#Cc7cc[n]([Rh]9%14%15%16%17(Oc%18c%19c%20c(O[Rh]%21%22%23%24(Oc%20c%20ccccc%20c%19O9)([n]9ccc(cc9)C#Cc9c(c(C)c(c(C)c9C)C#Cc9cc[n]2cc9)C)[c]2([c]%21([c]%22([c]%23([c]%242C)C)C)C)C)c2c%18cccc2)[c]2([c]%17([c]%16([c]%15([c]%142C)C)C)C)C)cc7)[c]2([c]%10([c]%11(C)[c]%12([c]%132C)C)C)C)c2c(c8O1)cccc2)[c]1([c]6(C)[c]5([c]4([c]31C)C)C)C
• 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: 29.3957 ± 0.0012 Å
• b: 27.2297 ± 0.0011 Å
• c: 40.625 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32518 ± 3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2019
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No