Information card for entry 4072575

Structure parameters

• 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: c1cc2cc[n]1[Ru]134567([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)[Cl][Ru]13456([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)([Cl]7)[n]1ccc(cc1)c1nc3c4cc[n](cc4)[Ru]456789([c]%10([cH]4[cH]5[c]6([cH]7[cH]8%10)C(C)C)C)[Cl][Ru]45678([c]%10([cH]8[cH]7[c]6([cH]5[cH]4%10)C(C)C)C)([Cl]9)[n]4ccc(c5nc2nc(c2cc[n](cc2)[Ru]26789%10([c]%11([cH]9[cH]8[c]7([cH]6[cH]2%11)C(C)C)C)[Cl][Ru]26789([c]%11([cH]2[cH]6[c]7([cH]8[cH]9%11)C(C)C)C)([Cl]%10)[n]2ccc(c(n3)n1)cc2)n5)cc4.CC(=O)C.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)S(=O)(=O)[O-]
• Title of publication: Self-Assembled Chloro-Bridged (Arene)ruthenium Metallo-Prisms: Synthesis and Molecular Structure of Cationic Complexes of the Type [Ru6(η6-arene)6(μ3-tpt-κN)2(μ-Cl)6]6+(tpt = 2,4,6-tris(pyridinyl)-1,3,5-triazine)
• Authors of publication: Govindaswamy, Padavattan; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 915
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No