Information card for entry 1569672

Structure parameters

• Formula: C224 H96 N8 O144 Ru24
• Calculated formula: C224 H72 N8 O144 Ru24
• SMILES: c1(cc2cc(c1)C1=[O][Ru]345([OH2])[Ru]67(O1)([OH2])[O]=C(O3)c1cc(cc(c1)O)C1=[O][Ru]389([O]=C%10c%11cc(cc(c%11)C%11=[O][Ru]%12%13%14(OC%15=[O][Ru]%16%14(O%11)([O]=C(O%12)c%11cc(cc(c%11)O)C%11=[O][Ru]%12%14%17([O]=C%18c%19cc(cc(c%19)C%19=[O][Ru]%20%21%22([O]=C%23c%24cc(cc(c%24)O)C%24=[O][Ru]%25%26%27(OC(=[O][Ru]%28%27(O%24)([O]=C(c%24cc(cc(c%24)C(O8)=[O][Ru]9(O%10)(O1)([O]=C(c1cc(cc(c1)C1=[O][Ru]89%10(OC2=[O][Ru]2%10(OC(=[O]8)c8cc(cc(c8)C8=[O][Ru]%10%24%27([O]=C%29c%30cc(cc(c%30)O)C%30=[O][Ru]%31%32%33(OC(c%34cc(cc(c%34)O)C(O9)=[O]2)=[O][Ru]%33(O%30)([O]=C(O%31)c2cc(cc(c2)C(O%20)=[O][Ru]%22(O%23)(O%19)([OH2])[O]=C(O%21)c2cc(cc(c2)O)C2=[O][Ru]9%19%20([O]=C%21c%22cc(cc(c%22)C(O%10)=[O][Ru]%27(O8)(O%29)([OH2])[O]=C(O%24)c8cc(cc(c8)O)C8=[O][Ru]%10%22%23(OC(c%24cc(cc(c%24)C(=[O]4)O6)O)=[O][Ru]4%23(O8)([O]=C(c6cc(cc(c6)C(O%19)=[O][Ru]%20(O%21)(O2)([O]=C(c2cc(cc(c2)C(O%17)=[O][Ru]%14(O%18)(O%11)([O]=C(c2cc(cc(c2)C2=[O][Ru]68%11(OC(c%14cc(cc(c%14)C(=[O]%13)O%16)O)=[O][Ru]%11(O2)([O]=C(O6)c2cc(cc(c2)C(O5)=[O]7)O)(OC(c2cc(cc(c2)C(=[O]%22)O4)O)=[O]8)[OH2])[O]=C(N(C)C)C)O)O%12)[OH2])O)O9)[OH2])O)O%10)[OH2])[O]=C(N(C)C)C)O)[O]=C(N(C)C)C)O)(OC(c2cc(cc(c2)C(=[O]%26)O%28)O)=[O]%32)[OH2])[O]=C(N(C)C)C)[OH2])O)([OH2])O1)[O]=C(N(C)C)C)O)O3)[OH2])O)O%25)[OH2])c1cc(cc%15c1)O)[O]=C(N(C)C)C)[OH2])O)[O]=C(N(C)C)C)[OH2])[OH2])O)[O]=C(N(C)C)C)O
• Title of publication: Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.
• Authors of publication: Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 9543 - 9552
• a: 30.937 ± 0.0002 Å
• b: 30.937 ± 0.0002 Å
• c: 31.2314 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29891.5 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No