Information card for entry 4326418

Structure parameters

• Formula: C28 H44 Cl3 Dy2 N6 Na O17
• Calculated formula: C28 H24 Cl3 Dy2 N6 Na O17
• SMILES: [Dy]12345([N](=Cc6c7c(ccc6)[O]([Dy]68([N](=Cc9c(c(ccc9)[O]4C)[O]38)NC(c3ccccn3)=[O]6)([O]27)([OH2])([OH2])([OH2])[OH]5)C)NC(c2ccccn2)=[O]1)([OH2])([OH2])O.O.[Cl-].[Cl-].[Cl-].O.O.O.[Na+]
• 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: 8.5593 ± 0.0004 Å
• b: 15.549 ± 0.0008 Å
• c: 15.5897 ± 0.0008 Å
• α: 85.766 ± 0.001°
• β: 83.705 ± 0.001°
• γ: 82.639 ± 0.001°
• Cell volume: 2041.54 ± 0.18 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No