Information card for entry 4331221

Structure parameters

• Formula: C69 H45 Dy3 F54 N6 O26
• Calculated formula: C69 H45 Dy3 F54 N6 O26
• SMILES: c1cc(ccn1=[O]1[Dy]234(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O](=n2ccc(cc2)C2=N(C(C([N]2=O)(C)C)(C)C)=O)[Dy]2351([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O5)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)C(F)(F)F)C(F)(F)F)C1=N(C(C([N]1=O)(C)C)(C)C)=O.C1(=CC(=[O][Dy]23(O1)([OH2])(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)[OH2])C(F)(F)F)C(F)(F)F
• Title of publication: A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States
• Authors of publication: Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13009 - 13016
• a: 22.6866 ± 0.0006 Å
• b: 13.0836 ± 0.0004 Å
• c: 32.5926 ± 0.0011 Å
• α: 90°
• β: 91.195 ± 0.003°
• γ: 90°
• Cell volume: 9672.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No