Information card for entry 7022566

Structure parameters

• Formula: C49 H29 Al2 F30 O2 P
• Calculated formula: C49 H29 Al2 F30 O2 P
• SMILES: [Al]([O]=CO[Al](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)(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.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: CO2 reduction via aluminum complexes of ammonia boranes.
• Authors of publication: Ménard, Gabriel; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5447 - 5453
• a: 12.663 ± 0.0008 Å
• b: 13.8558 ± 0.0008 Å
• c: 15.7986 ± 0.001 Å
• α: 92.518 ± 0.003°
• β: 100.938 ± 0.003°
• γ: 108.147 ± 0.003°
• Cell volume: 2570.4 ± 0.3 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: 0.1031
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No