Information card for entry 4086907

Structure parameters

• Formula: C69 H90 Cu3 N6 P3
• Calculated formula: C69 H90 Cu3 N6 P3
• Title of publication: Sequential Addition of Phosphine to Alkynes for the Selective Synthesis of 1,2-Diphosphinoethanes under Catalysis. Well-Defined NHC-Copper Phosphides vs in Situ CuCl2/NHC Catalyst
• Authors of publication: Yuan, Jia; Zhu, Lizhao; Zhang, Jianying; Li, Jianfeng; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 455
• a: 26.862 ± 0.003 Å
• b: 22.2816 ± 0.0019 Å
• c: 27.235 ± 0.003 Å
• α: 90°
• β: 116.826 ± 0.002°
• γ: 90°
• Cell volume: 14547 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No