Information card for entry 1576077

Structure parameters

• Formula: C24 H18 B2 Co F8 N10 O4
• Calculated formula: C24 H18 B2 Co F8 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: 16.44377 ± 0.00006 Å
• b: 10.53198 ± 0.00005 Å
• c: 16.45174 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2849.2 ± 0.02 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No