Information card for entry 7121010

Structure parameters

• Formula: C142 H220 F18 N18 O46 Rh4 S6
• Calculated formula: C114 H100 F18 N16 O18 Rh4 S6
• SMILES: c1ccc2c3c4c5ccc[n]4[Rh]4678([n]13)([n]1ccc(cc1)c1cc[n](cc1)[Rh]139%10%11([n]%12cccc%13c%12c%12[n]1cccc%12c1nc%12c%14ccc[n]%15c%14c%14c(ccc[n]%14[Rh]%14%16%17%18%15([n]%15ccc(cc%15)c%15cc[n]([Rh]%19%20%21%22%23([n]%24cccc%25c%24c%24[n]%19cccc%24c%19nc2c5nc%25%19)[c]2([c]%20([c]%21(C)[c]%22([c]%232C)C)C)C)cc%15)[c]2([c]%18([c]%17([c]%16([c]%142C)C)C)C)C)c%12nc%131)[c]1([c]3([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]4([c]6([c]7([c]81C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.
• Authors of publication: Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 1559 - 1562
• a: 15.772 ± 0.003 Å
• b: 17.56 ± 0.003 Å
• c: 19.223 ± 0.004 Å
• α: 67.479 ± 0.003°
• β: 69.242 ± 0.003°
• γ: 86.897 ± 0.003°
• Cell volume: 4578.1 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No