Information card for entry 7058879

Structure parameters

• Common name: F-F12BsubPc
• Formula: C24 B F13 N6
• Calculated formula: C24 B F13 N6
• Title of publication: Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement
• Authors of publication: Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16730
• a: 11.557 ± 0.0003 Å
• b: 22.167 ± 0.0006 Å
• c: 26.3618 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6753.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No