Information card for entry 7116188

Structure parameters

• Common name: [RuIII2DyIII2(OMe)2(O2CPh)4(mdea)2(NO3)2]
• Formula: C40 H48 Dy2 N4 O20 Ru2
• Calculated formula: C40 H48 Dy2 N4 O20 Ru2
• SMILES: C[O]12[Dy]34567([O]8CC[N]9(CC[O]%10[Ru]189([O]=C(c1ccccc1)O[Dy]1289%10([O]6(C)[Ru]26([N](CC[O]52)(CC[O]16)C)([O]=C(c1ccccc1)O7)[O]=C(O8)c1ccccc1)ON(=[O]9)=O)[O]=C(O3)c1ccccc1)C)ON(=[O]4)=O
• Title of publication: The first 4d/4f single-molecule magnet containing a {Ru(III)2Dy(III)2} core.
• Authors of publication: Langley, Stuart K.; Wielechowski, Daniel P.; Vieru, Veacheslav; Chilton, Nicholas F.; Moubaraki, Boujemaa; Chibotaru, Liviu F.; Murray, Keith S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2044 - 2047
• a: 8.096 ± 0.0016 Å
• b: 17.161 ± 0.003 Å
• c: 17.146 ± 0.003 Å
• α: 90°
• β: 92.44 ± 0.03°
• γ: 90°
• Cell volume: 2380 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71079 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No