Information card for entry 7101536

Structure parameters

• Common name: (Ru6(C6Me6)6(tpt)2Cl6)(O3SCF3)6
• Chemical name: [Ru6(C6Me6)6(tpt)2Cl6][O3SCF3]6
• Formula: C114 H132 Cl6 F18 N12 O18 Ru6 S6
• Calculated formula: C114 H132 Cl6 F18 N12 O18 Ru6 S6
• SMILES: [c]12([c]3([c]4([c]5([c]6([c]1(C)[Ru]1723456[n]2ccc(cc2)c2nc3c4cc[n](cc4)[Ru]45689%10([c]%11([c]4([c]5([c]6([c]8([c]9%11C)C)C)C)C)C)[Cl][Ru]45689([c]%11([c]9([c]8([c]6([c]5([c]4%11C)C)C)C)C)C)([n]4ccc(c5nc(c6cc[n](cc6)[Ru]689%11%12%13([c]%14([c]%12([c]%11([c]9([c]8([c]6%14C)C)C)C)C)C)[Cl][Ru]689%11%12([c]%14([c]6([c]8([c]9([c]%11([c]%12%14C)C)C)C)C)C)([n]6ccc(c(n3)n2)cc6)[Cl]%13)nc(c2cc[n](cc2)[Ru]23689([c]%11([c]2([c]3([c]6([c]8([c]9%11C)C)C)C)C)C)([Cl]1)[Cl]7)n5)cc4)[Cl]%10)C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 23.8695 ± 0.0014 Å
• b: 17.233 ± 0.0008 Å
• c: 35.282 ± 0.002 Å
• α: 90°
• β: 93.499 ± 0.007°
• γ: 90°
• Cell volume: 14485.9 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No