Information card for entry 7108000

Structure parameters

• Formula: C22 H39 B2 Cl4 O P
• Calculated formula: C22 H39 B2 Cl4 O P
• SMILES: Cl[B]1(Cl)[O](CCCC[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[B](Cl)(Cl)c2c1cccc2
• Title of publication: Stoichiometric CO2 reductions using a bis-borane-based frustrated Lewis pair
• Authors of publication: Michael Sgro; Johannes Doemer; Douglas Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7253
• a: 8.9031 ± 0.0005 Å
• b: 11.5796 ± 0.0007 Å
• c: 13.1403 ± 0.0008 Å
• α: 93.817 ± 0.004°
• β: 99.079 ± 0.004°
• γ: 92.33 ± 0.004°
• Cell volume: 1332.95 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No