Information card for entry 7101535

Structure parameters

• Common name: (Ru6(p-PriC6H4Me)6(tpt)2Cl6)(O3SCF3)6
• Chemical name: [Ru6(p-PriC6H4Me)6(tpt)2Cl6][O3SCF3]6
• Formula: C105 H114 Cl6 F18 N12 O19 Ru6 S6
• Calculated formula: C105 H114 Cl6 F18 N12 O19 Ru6 S6
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]1723456[Cl][Ru]23456([c]8([cH]2[cH]3[c]4([cH]5[cH]68)C)C(C)C)([Cl]1)[n]1ccc(cc1)c1nc2c3cc[n](cc3)[Ru]345689([c]%10([cH]3[cH]4[c]5([cH]6[cH]8%10)C)C(C)C)[Cl][Ru]34568([c]%10([cH]3[cH]4[c]5([cH]6[cH]8%10)C)C(C)C)([Cl]9)[n]3ccc(c4nc(c5cc[n]7cc5)nc(c5cc[n](cc5)[Ru]56789%10([c]%11([cH]5[cH]6[c]7([cH]8[cH]9%11)C)C(C)C)[Cl][Ru]56789([c]%11([cH]5[cH]6[c]7([cH]8[cH]9%11)C)C(C)C)([Cl]%10)[n]5ccc(c(n1)n2)cc5)n4)cc3)C)C(C)C.C(=O)(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: 76.294 ± 0.006 Å
• b: 18.2792 ± 0.0011 Å
• c: 19.1459 ± 0.001 Å
• α: 90°
• β: 94.152 ± 0.007°
• γ: 90°
• Cell volume: 26631 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.1619
• Residual factor for significantly intense reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.3127
• Weighted residual factors for all reflections included in the refinement: 0.3369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No