Information card for entry 1540031

Structure parameters

• Formula: C80 H92 Dy9 N24 O46
• Calculated formula: C80 H92 Dy9 N24 O46
• SMILES: [Dy]1234567[O]8[Dy]9%10%11%12%13%14[O]%15[Dy]%16%17%18%19([O]%20[Dy]%21%22%23([O]=N(=O)O%21)([OH]%18)([O]%18[Dy]%21%24%25%26([O]%27[Dy]%28%29%30%31([O]%32[Dy]%33%34([O]1%10)([O]%12c1c(C=[N]%34NC=%32N[N]%31=Cc%10c%12[O]%28[Dy]%28%31%27([O]%21=C(N[N]%31=Cc%21cccc(OC)c%21O%28)N[N]%26=Cc%21cccc([O]3C)c%21[O]4%24)([O](c%12ccc%10)C)([O]=CN(C)C)[O]=CN(C)C)cccc1[O]%13C)([O]=N(O%33)=O)([OH]%30)[OH]6)([O]=N(=O)O%29)O%25)([O](c1c%18c(C=[N]%23NC=%20N[N]%19=Cc3c4[O]%16[Dy]6%10%15([O]9=C(N[N]%10=Cc9cccc(OC)c9O6)N[N]%14=Cc6cccc([O]2C)c86)([O](c4ccc3)C)([O]=CN(C)C)[O]=CN(C)C)ccc1)C)[O]5%22)[OH]7)([O]=N(=O)O%17)[OH]%11
• Title of publication: Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes.
• Authors of publication: Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19758 - 19762
• a: 34.8579 ± 0.0012 Å
• b: 24.5497 ± 0.0009 Å
• c: 24.2872 ± 0.0009 Å
• α: 90°
• β: 120.453 ± 0.003°
• γ: 90°
• Cell volume: 17916.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No