Information card for entry 7029502

Structure parameters

• Formula: C70 H84 N12 O32 S4 Yb4
• Calculated formula: C70 H72 N12 O32 S4 Yb4
• SMILES: c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Yb]342([O]=1)([OH2])(OC(=O)C)[O]1C(C)=[O][Yb]251([N](=Cc1ccccc1O2)NC(c1cccnc1S)=[O]5)([OH2])(OC(=O)C)[O]4C(=[O]3)C.O1c2ccccc2C=[N]2[Yb]3451([O]=C(C)O3)([O]=C(C)[O]4[Yb]1346([N](NC(=[O]1)c1cccnc1S)=Cc1ccccc1O3)([O]=C(C)[O]56)([O]=C(C)O4)[OH]C)([OH]C)[O]=C(N2)c1cccnc1S.O.O.O.O
• Title of publication: Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.
• Authors of publication: Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6262 - 6268
• a: 10.885 ± 0.004 Å
• b: 12.424 ± 0.004 Å
• c: 17.847 ± 0.007 Å
• α: 70.887 ± 0.006°
• β: 73.303 ± 0.006°
• γ: 89.712 ± 0.006°
• Cell volume: 2173.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No