Information card for entry 1572837

Structure parameters

• Formula: C47.5 H41 O3 P2 Re
• Calculated formula: C47.5 H41 O3 P2 Re
• Title of publication: Exploring Efficient and Air-Stable d2 Re(V) Alkylidyne Catalysts: Toward Room Temperature Alkyne Metathesis
• Authors of publication: Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H-Y.; Williams, Ian Duncan; Jia, Guochen
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.9819 ± 0.0006 Å
• b: 14.988 ± 0.0004 Å
• c: 19.2809 ± 0.0006 Å
• α: 75.285 ± 0.003°
• β: 68.908 ± 0.003°
• γ: 83.041 ± 0.003°
• Cell volume: 3904.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No