Information card for entry 7045699

Structure parameters

• Formula: C50 H62 B2 F10 P2
• Calculated formula: C50 H62 B2 F10 P2
• 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: 22.6598 ± 0.0004 Å
• b: 11.9386 ± 0.0002 Å
• c: 35.4316 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9585.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No