Information card for entry 2243480

Structure parameters

• Chemical name: Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylacetamide decasolvate
• Formula: C96 H134 Dy Mn4 N14 Na O38
• Calculated formula: C96 H134 Dy Mn4 N14 Na O38
• Title of publication: Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate
• Authors of publication: Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1213 - 1221
• a: 19.9869 ± 0.0009 Å
• b: 19.9869 ± 0.0009 Å
• c: 13.957 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5575.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes