Information card for entry 7135407

Structure parameters

• Formula: C258 H452.92 B4 F16 Fe2 N64 O20.46
• Calculated formula: C258 H452.92 B4 F16 Fe2 N64 O20.46
• Title of publication: „Inverted” hysteresis in bilayer Fe(II) spin crossover system
• Authors of publication: Tołoczko, Aleksandra; Kaźmierczak, Marcin; Maliuzhenko, Vladyslav; Siczek, Miłosz; Weselski, Marek; Bronisz, Robert
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 13.046 ± 0.004 Å
• b: 18.844 ± 0.007 Å
• c: 33.352 ± 0.012 Å
• α: 78.27 ± 0.03°
• β: 86.54 ± 0.03°
• γ: 72.34 ± 0.03°
• Cell volume: 7650 ± 5 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No