Information card for entry 7020618

Structure parameters

• Formula: C48 H30 B F15 N P
• Calculated formula: C48 H30 B F15 N P
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)NC(C)(C)C.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)C#Cc1ccccc1
• 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: 10.1999 ± 0.0008 Å
• b: 17.1867 ± 0.0013 Å
• c: 24.1364 ± 0.0019 Å
• α: 89.968 ± 0.004°
• β: 80.171 ± 0.004°
• γ: 83.358 ± 0.004°
• Cell volume: 4140.3 ± 0.6 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: 0.0648
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No