Information card for entry 7023672

Structure parameters

• Formula: C99 H35 Al2 F54 P
• Calculated formula: C99 H35 Al2 F54 P
• Title of publication: Activation of H2 using P/Al based frustrated Lewis pairs and reactions with olefins.
• Authors of publication: Ménard, Gabriel; Tran, Lina; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13685 - 13691
• a: 12.4265 ± 0.0018 Å
• b: 16.935 ± 0.003 Å
• c: 21.347 ± 0.003 Å
• α: 88.445 ± 0.006°
• β: 86.663 ± 0.006°
• γ: 83.482 ± 0.006°
• Cell volume: 4454.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1682
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No