Information card for entry 7036417

Structure parameters

• Formula: C71 H65 B Cl4 F10 P2
• Calculated formula: C71 H65 B Cl4 F10 P2
• Title of publication: Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.
• Authors of publication: Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2023 - 2030
• a: 11.1621 ± 0.0003 Å
• b: 15.9872 ± 0.0004 Å
• c: 19.7607 ± 0.0006 Å
• α: 93.009 ± 0.002°
• β: 96.384 ± 0.002°
• γ: 109.293 ± 0.002°
• Cell volume: 3292.64 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No