Information card for entry 7041578

Structure parameters

• Formula: C54 H88 Dy4 N6 O23 S2
• Calculated formula: C54 H76 Dy4 N6 O23 S2
• SMILES: C[O]1c2cccc3c2[O]2[Dy]456789%10[NH](C3)[C@@](C)(C[O]7[Dy]37%11%12%13(N=C=S)[O]%145[Dy]5%15%16%17%18%19%20[NH](Cc%21cccc(c%21[O]%12%15)[O]%11C)[C@](C)(C[O]%17[Dy]%1112%14([O]9C[C@]([NH]4Cc1cccc([O]3C)c1[O]87)(C[OH]%10)C)(N=C=S)[O](C)c1cccc(c1[O]%18%11)C[NH]5[C@](C)(C[O]%13%19)C[OH]%20)C[OH]%16)C[OH]6.CO.CO.O.CO.CO.O
• Title of publication: Probing the magnetic relaxation and magnetic moment arrangement in a series of Dy4 squares.
• Authors of publication: Wu, Jianfeng; Lin, Shuang-Yan; Shen, Si; Li, Xiao-Lei; Zhao, Lang; Zhang, Li; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1577 - 1584
• a: 10.465 ± 0.006 Å
• b: 13.832 ± 0.007 Å
• c: 14.762 ± 0.008 Å
• α: 68.793 ± 0.009°
• β: 88.158 ± 0.011°
• γ: 68.409 ± 0.009°
• Cell volume: 1839.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.049
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No