Information card for entry 4305141

Structure parameters

• Formula: C96 H132 N12 O30 Ru6
• Calculated formula: C96 H96 N12 O30 Ru6
• SMILES: c1[n]2[Ru]345678(Oc9c%10CNCc%11cc%12cc(c%11)CNCc%11c%13c%14[n](cc%11)[Ru]%11%15%16%17%18%19(Oc%20c(c%21cc[n]%20[Ru]%20%22%23%24%25%26(Oc%27[n](ccc(CNCc%28cc(cc(CNC%21)c%28)CNCc(c%21c2O[Ru]2%28%29%30%31([n]%32c%33O[Ru]%34%35%36%37%38([n](c9O8)cc%10)(Oc%33c(CNC%12)cc%32)[c]8([cH]%34[cH]%35[cH]%36[cH]%37[cH]%388)C)(O%21)[c]8([cH]2[cH]%28[cH]%29[cH]%30[cH]%318)C)c1)c%27O%20)[Ru]1289%10(O%14)(O%13)[c]%12([cH]1[cH]2[cH]8[cH]9[cH]%10%12)C)[c]1([cH]%22[cH]%23[cH]%24[cH]%25[cH]%261)C)O%11)[c]1([cH]%19[cH]%18[cH]%17[cH]%16[cH]%151)C)[c]1([cH]7[cH]6[cH]5[cH]4[cH]31)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Breaking the Symmetry: Assembly of Cylindrical Nanostructures with a C3-Symmetrical Ligand
• Authors of publication: Céline Olivier; Euro Solari; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4454 - 4456
• a: 10.73 ± 0.002 Å
• b: 12.726 ± 0.008 Å
• c: 22.642 ± 0.016 Å
• α: 95.57 ± 0.06°
• β: 101.51 ± 0.05°
• γ: 113.79 ± 0.04°
• Cell volume: 2717 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No