Information card for entry 1515669

Structure parameters

• Formula: C37 H47 B Cl F3 O P2
• Calculated formula: C37 H47 B Cl F3 O P2
• SMILES: ClCCl.Fc1ccc(cc1)[B](c1ccc(cc1)F)(c1ccc(cc1)F)[O]=P(C1CCCCC1)(C1CCCCC1)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: 9.5346 ± 0.0005 Å
• b: 21.1476 ± 0.0009 Å
• c: 17.6877 ± 0.0008 Å
• α: 90°
• β: 102.604 ± 0.001°
• γ: 90°
• Cell volume: 3480.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No