Information card for entry 7101537

Structure parameters

• Formula: C108 H108 F18 N12 O30 Ru6 S6
• Calculated formula: C108 H108 F18 N12 O30 Ru6 S6
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]1723456[O]=C2C(O7)=[O][Ru]34567([n]8ccc(cc8)c8nc9nc(n8)c8cc[n](cc8)[Ru]8%10%11%12%13%14([O]=C%15C(=[O][Ru]%16%17%18%19%20([c]%21([cH]%16[cH]%17[c]%18([cH]%19[cH]%20%21)C(C)C)C)([n]%16ccc(cc%16)c%16nc(nc(n%16)c%16cc[n](cc%16)[Ru]%16%17%18%19%20%21([O]=C%22C(O%21)=[O][Ru]%21%23%24%25%26([n]%27ccc9cc%27)(O%22)[c]9([cH]%21[cH]%23[c]%24([cH]%25[cH]%269)C(C)C)C)[c]9([cH]%16[cH]%17[c]%18([cH]%19[cH]%209)C(C)C)C)c9cc[n]1cc9)O%15)O8)[c]1([cH]%10[cH]%11[c]%12([cH]%13[cH]%141)C(C)C)C)(O2)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C)C(C)C)C.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-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality
• Authors of publication: P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 45
• a: 18.1 ± 0.003 Å
• b: 18.1 ± 0.003 Å
• c: 25.705 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7293 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No