Information card for entry 7720401

Structure parameters

• Formula: C108 H104 Gd8 N40 O44
• Calculated formula: C108 H104 Gd8 N40 O44
• Title of publication: Fixing CO₂ from the air to assemble Dy₈ zero-field single-molecule magnets and Gd₈ magnetocaloric molecular materials.
• Authors of publication: Liu, Cai-Ming; Hao, Xiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5055 - 5063
• a: 32.5485 ± 0.0008 Å
• b: 18.1561 ± 0.0004 Å
• c: 28.8794 ± 0.0008 Å
• α: 90°
• β: 118.271 ± 0.003°
• γ: 90°
• Cell volume: 15030.7 ± 0.8 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No