Information card for entry 1515667

Structure parameters

• Formula: C60 H66 B2 F24 N4 O2 P2
• Calculated formula: C60 H66 B2 F24 N4 O2 P2
• SMILES: [P+](/N=N/O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(c(F)c1F)[B](O/N=N/[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(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)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.C1CCCCC1
• 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: 11.691 ± 0.0005 Å
• b: 12.8326 ± 0.0005 Å
• c: 13.5442 ± 0.0006 Å
• α: 63.637 ± 0.002°
• β: 88.082 ± 0.002°
• γ: 72.341 ± 0.002°
• Cell volume: 1722.62 ± 0.13 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: 0.0664
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No