Information card for entry 7124048

Structure parameters

• Formula: C31 H20 Ag2 Fe N8 O
• Calculated formula: C31 H20 Ag2 Fe N8 O
• Title of publication: Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest
• Authors of publication: Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.3664 ± 0.0013 Å
• b: 28.302 ± 0.003 Å
• c: 13.7232 ± 0.0009 Å
• α: 90°
• β: 131.844 ± 0.002°
• γ: 90°
• Cell volume: 5892.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.21 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No