Information card for entry 4326416

Structure parameters

• Formula: C28 H30 Dy2 N8 O16
• Calculated formula: C28 H30 Dy2 N8 O16
• SMILES: c12cccc[n]2[Dy]2345([O]6C1=N[N]1=Cc7c(O[Dy]8961(ON(=[O]9)=O)([OH2])[n]1c(cccc1)C(=N[N]3=Cc1c(O5)c(OC)ccc1)[O]48)c(OC)ccc7)(ON(=[O]2)=O)[OH2].O.O
• Title of publication: Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand
• Authors of publication: Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9705 - 9713
• a: 9.3234 ± 0.0008 Å
• b: 9.4773 ± 0.0009 Å
• c: 11.4313 ± 0.001 Å
• α: 69.114 ± 0.001°
• β: 83.773 ± 0.002°
• γ: 66.613 ± 0.001°
• Cell volume: 865.53 ± 0.13 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No