Information card for entry 4345132

Structure parameters

• Formula: C216 H184 F6 N12 O26 Ru8 S2
• Calculated formula: C216 H184 F6 N12 O26 Ru8 S2
• SMILES: c12c(cccc1)c1c3c4c5O[Ru]6789%10([n]%11ccc(N%12c%13ccc(cc%13)N%13c%14cc[n](cc%14)[Ru]%14%15%16%17%18%19(Oc%20c%21c%22c(O[Ru]%23%24%25%26%27([n]%28ccc(N(c%29ccc(N(c%30cc[n](cc%30)[Ru]%30%31%32%33%34(Oc3c3c5cccc3)(O1)[cH]1[c]%33([cH]%30[cH]%31[c]%34([cH]%321)C(C)C)C)c1cc[n]([Ru]35%30%31%32%33(Oc%34c%35c%36c(O[Ru]%37%38%39%40%41([n]%42ccc%12cc%42)(Oc%36c%12c%34cccc%12)[cH]%12[c]%40([cH]%41[cH]%39[c]%38([cH]%37%12)C(C)C)C)c%12c(c%35O3)cccc%12)[cH]3[cH]5[c]%30([cH]%31[cH]%32[c]%333C(C)C)C)cc1)cc%29)c1cc[n]([Ru]35%12%29%30%31(Oc%32c%33c(cccc%33)c%33c%34c%32c(O3)c3ccccc3c%34O[Ru]3%32%34%35%36([n]%37ccc%13cc%37)(O%33)[cH]%13[c]%35([cH]3[cH]%32[c]%36([cH]%34%13)C(C)C)C)[cH]3[cH]%29[c]%30([cH]%12[cH]5[c]%313C)C(C)C)cc1)cc%28)(Oc%22c1c%20cccc1)[cH]1[c]%26([cH]%27[cH]%25[c]%24([cH]%231)C(C)C)C)c1c(c%21O%14)cccc1)[cH]1[cH]%15[c]%16([cH]%17[cH]%18[c]%191C(C)C)C)cc%11)(Oc24)[cH]1[cH]8[c]9([cH]7[cH]6[c]%101C)C(C)C.S(=O)(=O)(C(F)(F)F)[O-].C(OCC)C.OC.S(=O)(=O)(C(F)(F)F)[O-].C(OCC)C.OC
• Title of publication: Self-Assembly of Discrete Ru(II)8 Molecular Cages and Their in Vitro Anticancer Activity.
• Authors of publication: Ajibola Adeyemo, Aderonke; Shettar, Abhijith; Bhat, Imtiyaz Ahmad; Kondaiah, Paturu; Mukherjee, Partha Sarathi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 608 - 617
• a: 15.844 ± 0.004 Å
• b: 18.858 ± 0.005 Å
• c: 21.373 ± 0.006 Å
• α: 102.133 ± 0.007°
• β: 102.954 ± 0.006°
• γ: 100.508 ± 0.006°
• Cell volume: 5905 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1768
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No