Information card for entry 7703730

Structure parameters

• Formula: C448 H504 F12 Fe8 N72 O60 S4
• Calculated formula: C448 H504 F12 Fe8 N72 O60 S4
• Title of publication: Supramolecular assemblies based on Fe₈L₁₂ cubic metal-organic cages: synergistic adsorption and spin-crossover properties.
• Authors of publication: Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4220 - 4224
• a: 35.1488 ± 0.0012 Å
• b: 35.1488 ± 0.0012 Å
• c: 25.6895 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31738 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.2017
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2729
• Weighted residual factors for all reflections included in the refinement: 0.3492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No