Information card for entry 1515670

Structure parameters

• Formula: C55 H42 B F20 N2 O P
• Calculated formula: C55 H42 B F20 N2 O P
• SMILES: [P+](N=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(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: 12.3838 ± 0.0003 Å
• b: 12.5415 ± 0.0003 Å
• c: 18.4913 ± 0.0005 Å
• α: 94.703 ± 0.001°
• β: 103.546 ± 0.001°
• γ: 101.734 ± 0.001°
• Cell volume: 2708.21 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No