Information card for entry 4129525

Structure parameters

• Formula: C166 Co2 F18 N8 O38 Ru8 S7
• Calculated formula: C166 Co2 F18 N8 O38 Ru8 S7
• SMILES: [Ru]1234567([n]8ccc(cc8)[C]89=[C]%10%11[Co]%12%13%14%15%16%178([C]9([C]%12(c8cc[n]([Ru]9%12%18%19%20%21(Oc%22c(O9)cc9O[Ru]%23%24%25%26%27([n]%28ccc([C]%29%30[Co]%31%32%33%34%35%36%37([C]%38(=[C]%31([C]%29%32=O)c%29cc[n]([Ru]%31%32%39%40%41%42(Oc%43c(O%31)cc(O1)c(O2)c%43)[cH]1[cH]%32[c]%41([cH]%39[cH]%42[c]%401C)CC)cc%29)[C]=%30%33c1cc[n]([Ru]2%29%30%31%32%33(Oc%39c(O2)cc2O[Ru]%40%41%42%43%44([n]%45ccc%38cc%45)(Oc2c%39)[c]2([cH]%40[cH]%42[c]%44([cH]%43[cH]%412)C)C(C)C)[cH]2[cH]%29[c]%31([cH]%32[cH]%33[c]%302C(C)C)C)cc1)[cH]1[cH]%34[cH]%37[cH]%36[cH]%351)cc%28)(Oc9c%22)[c]1([cH]%23[cH]%25[c]%26([cH]%27[cH]%241)C)CC)[cH]1[cH]%12[c]%21([cH]%19[cH]%18[c]%201C)C(C)C)cc8)=[C]%11%13c1cc[n]([Ru]289%11%12%13(Oc%18c(O2)cc2O[Ru]%19%20%21%22%23([n]%24ccc%10cc%24)(Oc2c%18)[cH]2[c]%19(C)[cH]%22[cH]%21[c]%23([cH]%202)CC)[cH]2[c]8([cH]%11[cH]%13[c]%12([cH]92)C)C)cc1)=O)[cH]1[cH]%14[cH]%16[cH]%17[cH]%151)[cH]1[c]4([cH]5[cH]3[c]7([cH]61)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(C(F)(F)F)(=O)[O-].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(C(F)(F)F)(=O)[O-].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.
• Authors of publication: Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 13018 - 13023
• a: 18.6286 ± 0.0006 Å
• b: 22.3857 ± 0.0007 Å
• c: 27.5313 ± 0.0009 Å
• α: 70.437 ± 0.002°
• β: 76.34 ± 0.002°
• γ: 68.855 ± 0.002°
• Cell volume: 10002.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2845
• Residual factor for significantly intense reflections: 0.1692
• Weighted residual factors for significantly intense reflections: 0.3861
• Weighted residual factors for all reflections included in the refinement: 0.4275
• Goodness-of-fit parameter for all reflections included in the refinement: 2.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No