Information card for entry 7022564

Structure parameters

• Formula: C9 H11 B F5 N
• Calculated formula: C9 H11 B F5 N
• SMILES: Fc1c(F)c(F)c(c(F)c1F)[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: 9.9549 ± 0.0005 Å
• b: 9.8224 ± 0.0005 Å
• c: 11.8944 ± 0.0005 Å
• α: 90°
• β: 113.294 ± 0.003°
• γ: 90°
• Cell volume: 1068.24 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No