Information card for entry 7047116

Structure parameters

• Formula: C22 H25 Cl F3 N O Ru
• Calculated formula: C22 H25 Cl F3 N O Ru
• Title of publication: Catalytic hydrogenation of carbonyl and nitro compounds using an [N,O]-chelate half-sandwich ruthenium catalyst.
• Authors of publication: Yao, Zi-Jian; Zhu, Jing-Wei; Lin, Nan; Qiao, Xin-Chao; Deng, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7158 - 7166
• a: 9.1752 ± 0.0004 Å
• b: 13.9311 ± 0.0007 Å
• c: 16.7961 ± 0.0008 Å
• α: 90°
• β: 101.993 ± 0.002°
• γ: 90°
• Cell volume: 2100.03 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No