Information card for entry 1569689

Structure parameters

• Formula: C56 H32 Fe2 N24 W
• Calculated formula: C56 H32 Fe2 N24 W
• Title of publication: Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.
• Authors of publication: Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9651 - 9663
• a: 18.8695 ± 0.0004 Å
• b: 18.8695 ± 0.0004 Å
• c: 15.4503 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5501.2 ± 0.2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No