Information card for entry 7720402

Structure parameters

• Formula: C52 H84 Dy2 F6 N16 O22 S2
• Calculated formula: C52 H84 Dy2 F6 N16 O22 S2
• Title of publication: Fixing CO2 from the air to assemble Dy8 zero-field single-molecule magnet and Gd8 magnetocaloric molecular material
• Authors of publication: Liu, Cai-Ming; Hao, Xiang
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 11.7867 ± 0.0002 Å
• b: 12.4022 ± 0.0002 Å
• c: 13.6136 ± 0.0002 Å
• α: 65.148 ± 0.001°
• β: 87.54 ± 0.001°
• γ: 83.234 ± 0.001°
• Cell volume: 1793.14 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No