Information card for entry 7705739

Structure parameters

• Formula: C84 H61 B F22 N2 P2
• Calculated formula: C78 H56 B F21 N2 P2
• Title of publication: Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.
• Authors of publication: Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13655 - 13662
• a: 12.7558 ± 0.0015 Å
• b: 15.2686 ± 0.0017 Å
• c: 19.312 ± 0.002 Å
• α: 87.366 ± 0.004°
• β: 79.437 ± 0.004°
• γ: 84.981 ± 0.004°
• Cell volume: 3681.6 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No