Information card for entry 7717438

Structure parameters

• Formula: C73 H79 Cl F5 Gd5 N20 O20
• Calculated formula: C71 H67 Cl F5 Gd5 N20 O20
• Title of publication: Solvent-dependent Ln(III) clusters assembled by immobilization of CO₂ in air: zero-field single-molecule magnets and magnetic refrigerant materials.
• Authors of publication: Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 96 - 107
• a: 23.6636 ± 0.0005 Å
• b: 17.1881 ± 0.0003 Å
• c: 44.8621 ± 0.001 Å
• α: 90°
• β: 104.76 ± 0.002°
• γ: 90°
• Cell volume: 17644.7 ± 0.6 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No