Information card for entry 1574226

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: 11.012 ± 0.006 Å
• b: 13.113 ± 0.007 Å
• c: 14.893 ± 0.008 Å
• α: 80.8 ± 0.04°
• β: 82.41 ± 0.04°
• γ: 67.88 ± 0.03°
• Cell volume: 1960.6 ± 1.9 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: 0.0555
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No