Information card for entry 7029501

Structure parameters

• Formula: C38 H56 N6 O20 S2 Tm2
• Calculated formula: C38 H48 N6 O20 S2 Tm2
• SMILES: c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Tm]3452([O]=1)([O]=C(C)[O]4[Tm]1246([N](=Cc7ccccc7O2)NC(c2cccnc2S)=[O]1)([O]=C(O4)C)([O]=C([O]56)C)[OH2])([OH2])[O]=C(O3)C.OC.OC.O.OC.OC.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: 9.3882 ± 0.0012 Å
• b: 10.9654 ± 0.0014 Å
• c: 13.1679 ± 0.0016 Å
• α: 111.464 ± 0.002°
• β: 92.422 ± 0.002°
• γ: 91.767 ± 0.002°
• Cell volume: 1258.9 ± 0.3 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: 0.0371
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No