Information card for entry 7718874

Structure parameters

• Formula: C47.5 H47 Cl4 N2 O2 P2 Re
• Calculated formula: C46 H44 Cl N2 O2 P2 Re
• Title of publication: Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex.
• Authors of publication: Xu, Shuting; Zhang, Yu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Fengjun; Fang, Xiaolong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10396 - 10402
• a: 13.0948 ± 0.0002 Å
• b: 20.8238 ± 0.0005 Å
• c: 32.3858 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8831.1 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No