Information card for entry 7022497

Structure parameters

• Formula: C34.5 H21 B F20 N P
• Calculated formula: C34.5 H21 B F20 N P
• Title of publication: Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.
• Authors of publication: Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4487 - 4499
• a: 27.428 ± 0.0007 Å
• b: 20.0877 ± 0.0008 Å
• c: 15.7738 ± 0.0004 Å
• α: 90°
• β: 124.926 ± 0.002°
• γ: 90°
• Cell volume: 7125.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No