Information card for entry 7101538

Structure parameters

• Formula: C120 H132 F18 N12 O30 Ru6 S6
• Calculated formula: C114 H132 N12 O12 Ru6
• SMILES: C12C3=[O][Ru]45678([n]9ccc(cc9)c9nc%10nc(n9)c9cc[n](cc9)[Ru]9%11%12%13%14%15([O]=C%16C(O9)=[O][Ru]9%17%18%19%20([n]%21ccc(cc%21)c%21nc(nc(c%22cc[n](cc%22)[Ru]%22%23%24%25%26([O]=1)(O3)[c]1([c]%22([c]%23([c]%24([c]%25(C)[c]%261C)C)C)C)C)n%21)c1cc[n](cc1)[Ru]13%21%22%23%24([O]=C%25C(=[O][Ru]%26%27%28%29%30([n]%31ccc%10cc%31)(O%25)[c]%10([c]%26([c]%27([c]%28([c]%29([c]%30%10C)C)C)C)C)C)O1)[c]1([c]3([c]%21([c]%22([c]%23([c]%241C)C)C)C)C)C)(O%16)[c]1([c]%20([c]%19([c]%18([c]%17([c]91C)C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)C)(O2)[c]1([c]8([c]7([c]6([c]5([c]41C)C)C)C)C)C
• 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: 27.333 ± 0.005 Å
• b: 19.941 ± 0.004 Å
• c: 28.163 ± 0.006 Å
• α: 90°
• β: 99.68 ± 0.03°
• γ: 90°
• Cell volume: 15132 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No