Information card for entry 2244213

Structure parameters

• Chemical name: Tetraaquatetrakis(μ-2-propylvalerato)tetrakis(μ~4~-salicylhydroximato)dysprosiumtetramanganesesodium dimethylformamide tetrasolvate,
• Formula: C72 H112 Dy Mn4 N8 Na O28
• Calculated formula: C72.0072 H112.011 Dy Mn4.0004 N8.0008 Na O28.0028
• Title of publication: Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges
• Authors of publication: Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 12
• a: 18.2654 ± 0.0009 Å
• b: 18.2654 ± 0.0009 Å
• c: 13.4219 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4477.9 ± 0.4 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: 0.1023
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes