Information card for entry 4101356

Structure parameters

• Formula: C90 H124 N12 O26 Ru6
• Calculated formula: C90 H96 N12 O26 Ru6
• SMILES: [Ru]1234567(Oc8[n]9[Ru]%10%11%12%13%14%15(Oc%16[n]%17[Ru]%18%19%20%21%22%23(Oc%24[n]2ccc(c%24O%18)CN2CCN(CC2)Cc2cc[n]%18[Ru]%24%25%26%27%28%29(Oc%30[n]([Ru]%31%32%33%34%35%36(Oc%37[n]([Ru]%38%39%40%41%42%43(Oc%18c2O%38)[c]2([cH]%39[cH]%40[cH]%41[cH]%42[cH]%432)C)ccc(CN2CCN(Cc(c8O1)cc9)CC2)c%37O%31)[c]1([cH]%32[cH]%33[cH]%34[cH]%35[cH]%361)C)ccc(CN1CCN(Cc(c%16O%10)cc%17)CC1)c%30O%24)[c]1([cH]%29[cH]%28[cH]%27[cH]%26[cH]%251)C)[c]1([cH]%19[cH]%20[cH]%21[cH]%22[cH]%231)C)[c]1([cH]%11[cH]%12[cH]%13[cH]%14[cH]%151)C)[c]1([cH]3[cH]4[cH]5[cH]6[cH]71)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.
• Authors of publication: Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10382 - 10383
• a: 21.3799 ± 0.0007 Å
• b: 24.3158 ± 0.0014 Å
• c: 18.4091 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9570.3 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No