Information card for entry 7225288

Structure parameters

• Formula: C18 H33 B2 F8 Ir N4 O2
• Calculated formula: C18 H33 B2 F8 Ir N4 O2
• Title of publication: Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand
• Authors of publication: Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 4553
• a: 8.6729 ± 0.0015 Å
• b: 11.3034 ± 0.0019 Å
• c: 13.751 ± 0.002 Å
• α: 85.039 ± 0.003°
• β: 74.421 ± 0.003°
• γ: 78.507 ± 0.003°
• Cell volume: 1271.7 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No