Information card for entry 7223036

Structure parameters

• Formula: C76 H100 Dy4 N4 O34
• Calculated formula: C76 H94 Dy4 N4 O34
• SMILES: c12c(cc(cc1C=[N]1C3(C[O]4[Dy]56781(O2)[O]1(C3)[Dy]239%10%11%12[N](=Cc%13c(c(cc(c%13)C)C=O)O2)C(C[O]3[Dy]23%13%141([N](=Cc1c(O3)c(cc(c1)C)C=O)C(C[OH]%13)(CO)C[O]8%14)[O]%10c1c(cc(cc1C=[O]%11)C)C=[O]2)(C[O]79[Dy]12374([O]5c4c(cc(cc4C=[O]6)C)C=[O]1)[N](=Cc1c(O2)c(cc(c1)C)C=O)C(C[OH]3)(CO)C[O]%127)CO)CO)C)C=O.CO.CO.CO.O.CO.CO.CO.O
• Title of publication: A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound
• Authors of publication: Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9167
• a: 12.7298 ± 0.0008 Å
• b: 12.941 ± 0.0008 Å
• c: 14.4839 ± 0.0009 Å
• α: 79.788 ± 0.001°
• β: 74.518 ± 0.001°
• γ: 72.818 ± 0.001°
• Cell volume: 2184.2 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1211
• 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