Information card for entry 7121011

Structure parameters

• Formula: C148 H208 F24 N24 O52 Rh4 S8
• Calculated formula: C116 H104 F12 N16 O12 Rh4 S4
• SMILES: c1ccc2c3[n]1[Rh]14567([n]8ccc(/C=C/c9cc[n](cc9)[Rh]9%10%11%12%13([n]%14cccc%15c%16nc%17c%18c%19c%20c(ccc[n]%20[Rh]%20%21%22%23([n]%19ccc%18)([n]%18ccc(cc%18)/C=C/c%18cc[n](cc%18)[Rh]%18%19%24%25%26([n]%27cccc%28c%29nc(c%30c3[n]5ccc%30)c2nc%29c2c([n]%18ccc2)c%27%28)[c]2([c]%26([c]%25([c]%24([c]%192C)C)C)C)C)[c]2([c]%20([c]%21([c]%22([c]%232C)C)C)C)C)c%17nc%16c2c([n]9ccc2)c%14%15)[c]2([c]%13([c]%12([c]%11([c]%102C)C)C)C)C)cc8)[c]2([c]1([c]4(C)[c]7([c]62C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.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: 21.482 ± 0.003 Å
• b: 12.4683 ± 0.0016 Å
• c: 38.691 ± 0.005 Å
• α: 90°
• β: 101.321 ± 0.002°
• γ: 90°
• Cell volume: 10162 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.175
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3289
• Weighted residual factors for all reflections included in the refinement: 0.3703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No