Information card for entry 1567564

Structure parameters

• Formula: C31 H32 Cl N4 O P Ru
• Calculated formula: C31 H32 Cl N4 O P Ru
• Title of publication: Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate
• Authors of publication: Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 6213 - 6218
• a: 17.5755 ± 0.0006 Å
• b: 19.7613 ± 0.0008 Å
• c: 21.9822 ± 0.0009 Å
• α: 106.12 ± 0.004°
• β: 103.92 ± 0.003°
• γ: 103.786 ± 0.003°
• Cell volume: 6727.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1274
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.2852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No