Information card for entry 1572838

Structure parameters

• Formula: C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn
• Calculated formula: C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn
• 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: 17.138 ± 0.0003 Å
• b: 18.3645 ± 0.0004 Å
• c: 21.067 ± 0.0005 Å
• α: 107.093 ± 0.002°
• β: 92.87 ± 0.002°
• γ: 113.868 ± 0.002°
• Cell volume: 5686.2 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No