Information card for entry 1576076

Structure parameters

• Formula: C24 H18 B2 F8 Fe N10 O4
• Calculated formula: C24 H18 B2 F8 Fe N10 O4
• Title of publication: Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature
• Authors of publication: Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 17.3355 ± 0.0003 Å
• b: 16.5509 ± 0.0002 Å
• c: 10.6777 ± 0.0002 Å
• α: 90°
• β: 104.984 ± 0.002°
• γ: 90°
• Cell volume: 2959.46 ± 0.09 ų
• Cell temperature: 393.15 K
• Ambient diffraction temperature: 393.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No