Information card for entry 7022565

Structure parameters

• Formula: C22 H12 Al B F15 N O2
• Calculated formula: C22 H12 Al B F15 N O2
• SMILES: [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)[O]=CO[BH2][N](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: 19.524 ± 0.0007 Å
• b: 12.5631 ± 0.0005 Å
• c: 19.7628 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4847.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No