Information card for entry 1574230

Structure parameters

• Formula: C74 H60 B2 F8 Fe N28 O12
• Calculated formula: C74 H60 B2 F8 Fe N28 O12
• Title of publication: [2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one
• Authors of publication: Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7884 - 7893
• a: 10.816 ± 0.003 Å
• b: 13.308 ± 0.004 Å
• c: 14.753 ± 0.004 Å
• α: 93.25 ± 0.02°
• β: 99.7 ± 0.02°
• γ: 112.47 ± 0.03°
• Cell volume: 1917.1 ± 1.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 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: 0.0571
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No