Information card for entry 7020616

Structure parameters

• Formula: C50 H26 B F15 N P
• Calculated formula: C50 H26 B F15 N P
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)Nc1ccccc1.c1(ccccc1)C#C[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: Phosphinimine-borane combinations in frustrated Lewis pair chemistry.
• Authors of publication: Jiang, Chunfang; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 630 - 637
• a: 10.7176 ± 0.0005 Å
• b: 24.4998 ± 0.0011 Å
• c: 15.8572 ± 0.0007 Å
• α: 90°
• β: 97.1 ± 0.002°
• γ: 90°
• Cell volume: 4131.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No