Information card for entry 7002013

Structure parameters

• Formula: C23.5 H13.5 B F15 N
• Calculated formula: C23.5 H13.5 B F15 N
• Title of publication: Frustrated Lewis pairs derived from N-heterocyclic carbenes and Lewis acids
• Authors of publication: Chase, Preston A.; Gille, Austin L.; Gilbert, Thomas M.; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7179
• a: 10.7771 ± 0.0012 Å
• b: 12.378 ± 0.0014 Å
• c: 19.156 ± 0.002 Å
• α: 72.874 ± 0.001°
• β: 74.357 ± 0.001°
• γ: 85.354 ± 0.002°
• Cell volume: 2351.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No