Information card for entry 7029500

Structure parameters

• Formula: C38 H48 Dy2 N6 O16 S2
• Calculated formula: C38 H48 Dy2 N6 O16 S2
• SMILES: c1(cccnc1S)C1N[N]2=Cc3c(O[Dy]4562([O]=1)([O]=C(O4)C)([O]=C([O]5[Dy]1245([N](=Cc7ccccc7O2)NC(c2cccnc2S)=[O]1)([O]=C(O4)C)([O]=C([O]65)C)[OH]C)C)[OH]C)cccc3.OC.OC
• 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: 10.31 ± 0.005 Å
• b: 10.622 ± 0.005 Å
• c: 11.674 ± 0.006 Å
• α: 69.65 ± 0.009°
• β: 85.71 ± 0.008°
• γ: 81.099 ± 0.008°
• Cell volume: 1183.9 ± 1 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: 0.0547
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No