Information card for entry 7103554

Structure parameters

• Formula: C52 H28 B F15 P2
• Calculated formula: C52 H28 B F15 P2
• SMILES: [PH+](c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1.[BH-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Heterolytic dihydrogen activation with the 1,8-bis(diphenylphosphino)naphthalene/B(C6F5)3 pair and its application for metal-free catalytic hydrogenation of silyl enol ethers.
• Authors of publication: Wang, Huadong; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 5966 - 5968
• a: 9.7493 ± 0.0005 Å
• b: 13.3554 ± 0.0006 Å
• c: 19.3935 ± 0.0009 Å
• α: 100.853 ± 0.002°
• β: 99.692 ± 0.002°
• γ: 94.678 ± 0.004°
• Cell volume: 2427.8 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No