Information card for entry 7045710

Structure parameters

• Formula: C39 H39 B F5 P
• Calculated formula: C39 H39 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: 10.1084 ± 0.0008 Å
• b: 12.6426 ± 0.0009 Å
• c: 13.232 ± 0.0011 Å
• α: 94.185 ± 0.003°
• β: 92.423 ± 0.003°
• γ: 101.427 ± 0.003°
• Cell volume: 1650.3 ± 0.2 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: 0.0776
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No