Information card for entry 4102595

Structure parameters

• Formula: C74 H92 Dy4 N8 O30
• Calculated formula: C74 H92 Dy4 N8 O30
• SMILES: c12c(cccc1C1=N[N]3[Dy]4567([O]1[Dy]189%10(O2)([N](N=C2[O]9[Dy]9%11%12%13%14([N](N=C([O]%10%14)c%10c([O]51)c([O]6C)ccc%10)=Cc1cccc5c1[O]%12[Dy]16%10(Oc%12c(C=[N]1N=C(c1c(c(ccc1)OC)O%11)[O]96)cccc%12OC)([O]%13c1c([O]%10C)cccc21)([O]5C)([OH]C)[OH]C)[OH]C)=Cc1c([O]78)c(ccc1)[O]4C)[OH]C)([OH]C)(Oc1c(C=3)cccc1OC)[OH]C)OC.CO.CO.CO.CO
• Title of publication: Two-Step Relaxation in a Linear Tetranuclear Dysprosium(III) Aggregate Showing Single-Molecule Magnet Behavior
• Authors of publication: Yun-Nan Guo; Gong-Feng Xu; Patrick Gamez; Lang Zhao; Shuang-Yan Lin; Ruiping Deng; Jinkui Tang; Hong-Jie Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8538 - 8539
• a: 14.2752 ± 0.0006 Å
• b: 14.173 ± 0.0006 Å
• c: 19.8547 ± 0.0009 Å
• α: 90°
• β: 92.571 ± 0.001°
• γ: 90°
• Cell volume: 4013 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• 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: 0.0201
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No