Information card for entry 7020613

Structure parameters

• Formula: C48 H28 B F15 N P
• Calculated formula: C48 H28 B F15 N P
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)Nc1ccccc1.c1(c(c(c(c(c1F)F)F)F)F)[BH-](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1ccccc1
• 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: 10.1234 ± 0.0005 Å
• b: 11.7781 ± 0.0006 Å
• c: 17.6664 ± 0.0009 Å
• α: 82.839 ± 0.002°
• β: 83.646 ± 0.002°
• γ: 83.741 ± 0.002°
• Cell volume: 2067.47 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No