Information card for entry 7041579

Structure parameters

• Formula: C52 H68 Dy4 N6 O23 S2
• Calculated formula: C52 H68 Dy4 N6 O23 S2
• SMILES: C1[C@@]2(C[OH][Dy]3456789[N]2=Cc2cccc%10c2[O]4[Dy]24%11%12%13(N=C=S)[O]%146[Dy]6%15%16%17([O]13)([O]1C[C@@]3([N]%18=Cc%19cccc([O]%11CCC[O]%104)c%19[O]%12[Dy]4%10%11%141%18([N]([C@@](C[O]24)(C[OH]%10)C)=Cc1cccc([O]%15CCC[O]%16c2cccc(c2[O]7%17)C=[N]5[C@@](C)(C[OH]8)C[O]9%13)c1[O]6%11)[OH]C3)C)N=C=S)C.O.O.O.O.O.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: 10.1501 ± 0.0006 Å
• b: 12.5967 ± 0.0008 Å
• c: 13.2679 ± 0.0008 Å
• α: 87.25 ± 0.001°
• β: 82.057 ± 0.001°
• γ: 68.609 ± 0.001°
• Cell volume: 1564.38 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0557
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No