Information card for entry 7120121

Structure parameters

• Chemical name: Ethanebis(diphenylphosphoranylidene)ammonium-tetrafluoroborate
• Formula: C26 H24 B F4 N P2
• Calculated formula: C26 H24 B F4 N P2
• Title of publication: Synthesis and activation potential of an open shell diphosphine.
• Authors of publication: Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• a: 17.0029 ± 0.0015 Å
• b: 13.0353 ± 0.0013 Å
• c: 10.6338 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2356.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No