Information card for entry 7128918

Structure parameters

• Formula: C52 H26 B2 F20 N4 O
• Calculated formula: C52 H26 B2 F20 N4 O
• Title of publication: A strongly Lewis-acidic and fluorescent borenium cation supported by a tridentate formazanate ligand
• Authors of publication: Katzman, Benjamin D.; Maar, Ryan R.; Cappello, Daniela; Sattler, Madeleine O.; Boyle, Paul D.; Staroverov, Viktor N.; Gilroy, Joe B.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 17.113 ± 0.006 Å
• b: 20.345 ± 0.007 Å
• c: 15.711 ± 0.006 Å
• α: 90°
• β: 115.728 ± 0.01°
• γ: 90°
• Cell volume: 4928 ± 3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No