Information card for entry 7251692

Structure parameters

• Formula: C19.75 H32.6 Br Ir N4 O2
• Calculated formula: C12 H14 Br Ir N4 O2
• Title of publication: Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol
• Authors of publication: Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio
• Journal of publication: Green Chemistry
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 2385 - 2394
• a: 15.8821 ± 0.0015 Å
• b: 10.1194 ± 0.0009 Å
• c: 24.188 ± 0.002 Å
• α: 90°
• β: 101.932 ± 0.004°
• γ: 90°
• Cell volume: 3803.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No