Information card for entry 1566755

Structure parameters

• Formula: C366 H318 F54 N24 O94 Rh14 S18
• Calculated formula: C348 H318 N24 O40 Rh14
• SMILES: c1cc2cc[n]1[Rh]13456([O]=C7N(O1)C(=O)c1c8c7ccc7c8c(C8=[O][Rh]9%10%11%12([n]%13ccc(cc%13)C#Cc%13ccc(C#Cc%14cc[n](cc%14)[Rh]%14%15%16%17%18([O]=C%19N(O%14)C(=O)c%14c%20c%19ccc%19c%20c(C%20=[O][Rh]%21%22%23%24([n]%25ccc(cc%25)C#Cc%25ccc(C#C2)cc%25)(ON%20C%19=O)[c]2(C)[c]%23([c]%21(C)[c]%22([c]%242C)C)C)cc%14)[c]2([c]%15([c]%16([c]%17([c]%182C)C)C)C)C)cc%13)(ON8C7=O)[c]2(C)[c]%11([c]9(C)[c]%10([c]%122C)C)C)cc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.C[c]12[c]3([c]4([Rh]567823([c]1([c]45C)C)[O](C)[Rh]1234([O]6C)([c]5(C)[c]3([c]1(C)[c]2([c]45C)C)C)([O]7C)[O]8C)C)C.[n]12ccc(cc2)C#Cc2ccc(C#Cc3cc[n](cc3)[Rh]34567([O]=C8N(O4)C(=O)c4c9c%10c(ccc89)C(=O)N8O[Rh]9%11%12%13([n]%14ccc(cc%14)C#Cc%14ccc(C#Cc%15cc[n](cc%15)[Rh]%15%16%17%18%19([O]=C%20N(O%16)C(=O)c%16c%21c%22c(ccc%20%21)C(=O)N%20O[Rh]%21%23%24%251([O]=C%20c%22cc%16)[c]1([c]%25([c]%23([c]%24([c]%211C)C)C)C)C)[c]1([c]%17(C)[c]%19(C)[c]%15([c]%181C)C)C)cc%14)([O]=C8c%10cc4)[c]1([c]%13([c]%11([c]%12([c]91C)C)C)C)C)[c]1([c]5(C)[c]7(C)[c]3([c]61C)C)C)cc2.N12C(=O)c3c4c5C1=[O][Rh]1678([c]9([c]7([c]1(C)[c]6([c]89C)C)C)C)([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc[n](cc1)[Rh]16789([c]%10([c]9(C)[c]6([c]1([c]8%10C)C)C)C)[O]=C1N(C(=O)c6ccc8C9N(C(=O)c%10c8c6c1cc%10)O[Rh]168%10([c]%11([c]8([c]1(C)[c]6([c]%10%11C)C)C)C)([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc[n]([Rh]68%10%11%12([c]%13([c]%12([c]8([c]6([c]%11%13C)C)C)C)C)[O]=C6N(C(=O)c(cc5)c4c6cc3)O%10)cc1)[O]=9)O7)O2
• 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: 20.474 ± 0.005 Å
• b: 34.09 ± 0.009 Å
• c: 38.801 ± 0.01 Å
• α: 90°
• β: 105.086 ± 0.012°
• γ: 90°
• Cell volume: 26148 ± 12 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No