Information card for entry 4329216

Structure parameters

• Formula: C152 H152 Cl24 N12 O42 Ru6
• Calculated formula: C148 H148 Cl12 N12 O42 Ru6
• SMILES: [Ru]1234567([c]8(C)[cH]4[cH]5[c]1([cH]6[cH]78)C(C)C)OC(=O)C1OC(=C(C=1OC)OC)C(=O)O[Ru]14567([c]8([cH]5[cH]6[c]4([cH]1[cH]78)C(C)C)C)(OC(=O)C1OC(=C(C=1OC)OC)C(=O)O2)[n]1ccc(c2nc4nc(n2)c2cc[n]([Ru]56789%10([c]%11(C)[cH]5[cH]8[c]6([cH]9[cH]%10%11)C(C)C)OC(=O)c5oc(C(=O)O[Ru]689%10%11([c]%12(C)[cH]6[cH]9[c]8([cH]%10[cH]%11%12)C(C)C)(OC(=O)c6oc(c(c6OC)OC)C(=O)O7)[n]6ccc(c7nc(nc(n7)c7cc[n]([Ru]89%10%11%12%13([c]%14(C)[cH]8[cH]%11[c]9([cH]%12[cH]%13%14)C(C)C)OC(=O)c8oc(c(c8OC)OC)C(=O)O[Ru]89%11%12%13([c]%14([cH]%11[cH]%12[c]8([cH]%13[cH]9%14)C(C)C)C)(OC(=O)c8oc(C(=O)O%10)c(c8OC)OC)[n]8ccc4cc8)cc7)c4cc[n]3cc4)cc6)c(c5OC)OC)cc2)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures
• Authors of publication: Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5795 - 5804
• a: 15.589 ± 0.003 Å
• b: 17.849 ± 0.004 Å
• c: 41.003 ± 0.008 Å
• α: 88.71 ± 0.03°
• β: 89.42 ± 0.03°
• γ: 88.87 ± 0.03°
• Cell volume: 11403 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.3136
• Weighted residual factors for all reflections included in the refinement: 0.3437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No