Information card for entry 4106527

Structure parameters

• Formula: C33 H37 Cl2 Dy2 N7 O9
• Calculated formula: C33 H37 Cl2 Dy2 N7 O9
• SMILES: Cl[Dy]1234(Cl)[O]5[Dy]67([n]8c(cccc8)C5=N[N]1=Cc1c(O4)c(OC)ccc1)([N](N=C([O]37)c1[n]2cccc1)=Cc1c(O6)c(OC)ccc1)([OH]C)([OH]C)[OH]C.N#CC
• Title of publication: Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet
• Authors of publication: Yun-Nan Guo; Gong-Feng Xu; Wolfgang Wernsdorfer; Liviu Ungur; Yang Guo; Jinkui Tang; Hong-Jie Zhang; Liviu F. Chibotaru; Annie K. Powell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11948 - 11951
• a: 9.697 ± 0.0005 Å
• b: 29.0923 ± 0.0013 Å
• c: 13.9203 ± 0.0007 Å
• α: 90°
• β: 103.605 ± 0.001°
• γ: 90°
• Cell volume: 3816.8 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No