Information card for entry 4326417

Structure parameters

• Formula: C30 H45 Dy2 N9 O24
• Calculated formula: C30 H23 Dy2 N9 O24
• SMILES: c12cccc[n]2[Dy]2345([O]6[Dy]789([N](=Cc%10c(c(ccc%10)OC)O9)N=C16)([O]5c1c(C=[N]2NC(c2ccccn2)=[O]4)cccc1[O]7C)(ON(=[O]8)=O)([OH2])[OH2])(ON(=[O]3)=O)([OH2])[OH2].N(=O)(=O)[O-].O.O.O.OC.OC
• 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: 10.335 ± 0.002 Å
• b: 16.368 ± 0.003 Å
• c: 27.235 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4607.2 ± 1.5 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No