Information card for entry 7045708

Structure parameters

• Formula: C42 H45 B F5 P
• Calculated formula: C42 H45 B F5 P
• Title of publication: Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.
• Authors of publication: Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4449 - 4454
• a: 11.1225 ± 0.0006 Å
• b: 11.7795 ± 0.0006 Å
• c: 14.5374 ± 0.0008 Å
• α: 74.415 ± 0.003°
• β: 78.609 ± 0.003°
• γ: 79.231 ± 0.003°
• Cell volume: 1780.34 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No