Information card for entry 1572672

Structure parameters

• Formula: C452 H344 Cu8 P16
• Calculated formula: C440 H320 Cu8 P16
• Title of publication: Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
• Authors of publication: Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 13.6127 ± 0.0007 Å
• b: 24.0012 ± 0.001 Å
• c: 26.5094 ± 0.0014 Å
• α: 90°
• β: 90.423 ± 0.002°
• γ: 90°
• Cell volume: 8660.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No