Information card for entry 7124050

Structure parameters

• Formula: C62 H40 Ag4 Fe2 N16 O2
• Calculated formula: C62 H40 Ag4 Fe2 N16 O2
• 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: 15.515 ± 0.0019 Å
• b: 17.552 ± 0.002 Å
• c: 13.9024 ± 0.0016 Å
• α: 67.038 ± 0.004°
• β: 90.558 ± 0.004°
• γ: 64.872 ± 0.004°
• Cell volume: 3085.4 ± 0.7 ų
• Cell temperature: 211 ± 2 K
• Ambient diffraction temperature: 211.16 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2601
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No