Information card for entry 7711248

Structure parameters

• Formula: C72 H78 Dy4 N6 O20
• Calculated formula: C72 H78 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: 11.8872 ± 0.0015 Å
• b: 18.419 ± 0.002 Å
• c: 16.98 ± 0.002 Å
• α: 90°
• β: 104.493 ± 0.002°
• γ: 90°
• Cell volume: 3599.5 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No