Information card for entry 1567563

Structure parameters

• Formula: C32 H34 B F4 N4 O P Ru
• Calculated formula: C32 H34 B F4 N4 O P Ru
• SMILES: [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3ccccc3C[N]1(C)CCN1C=2N(C=C1)C)C#[O].[B](F)(F)(F)[F-]
• 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: 17.8555 ± 0.0005 Å
• b: 10.37049 ± 0.00019 Å
• c: 18.2838 ± 0.0005 Å
• α: 90°
• β: 110.261 ± 0.003°
• γ: 90°
• Cell volume: 3176.13 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No