Information card for entry 7718872

Structure parameters

• Formula: C45.5 H48.5 Cl N2 O3.75 P2 Re
• Calculated formula: C45 H47 Cl N2 O3.5 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: 12.5495 ± 0.0002 Å
• b: 15.2226 ± 0.0003 Å
• c: 24.5566 ± 0.0002 Å
• α: 75.137 ± 0.001°
• β: 81.835 ± 0.001°
• γ: 67.072 ± 0.002°
• Cell volume: 4171.34 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0531
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No