Information card for entry 4129436

Structure parameters

• Formula: C42 H42 B F20 P Si
• Calculated formula: C42 H42 B F20 P Si
• SMILES: C(C)(C)(C)[P+](C(C)(C)C)(C(C)(C)C)[Si](CC)(CC)CC.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: 1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.
• Authors of publication: Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 23
• Pages of publication: 7298 - 7301
• a: 10.63 ± 0.007 Å
• b: 14.322 ± 0.009 Å
• c: 14.665 ± 0.011 Å
• α: 91.75 ± 0.02°
• β: 93.43 ± 0.02°
• γ: 100.84 ± 0.02°
• Cell volume: 2187 ± 3 ų
• Cell temperature: 254 ± 2 K
• Ambient diffraction temperature: 254 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No