Information card for entry 7711247

Structure parameters

• Formula: C68 H70 Dy4 N6 O20
• Calculated formula: C68 H70 Dy4 N6 O20
• Title of publication: Experimental and theoretical investigations on three DyIII4 single molecule magnets: structural and magneto-structural correlations
• Authors of publication: Mandal, Shuvankar; Pramanik, Abhishek; Dey, Sourav; Carrella, Luca M.; Rajaraman, Gopalan; Rentschler, Eva; Mohanta, Sasankasekhar
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.898 ± 0.004 Å
• b: 15.057 ± 0.005 Å
• c: 18.199 ± 0.006 Å
• α: 90°
• β: 103.649 ± 0.004°
• γ: 90°
• Cell volume: 3434.5 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No