Information card for entry 1515666

Structure parameters

• Formula: C30 H30 B F12 N2 O P
• Calculated formula: C30 H30 B F12 N2 O P
• SMILES: Fc1c(c(F)c(F)cc1F)[B](ON=N[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F
• Title of publication: The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes
• Authors of publication: Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 170
• a: 11.6507 ± 0.0006 Å
• b: 13.7877 ± 0.0006 Å
• c: 19.5448 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3139.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No