Information card for entry 1572667

Structure parameters

• Formula: C84 H66 Cu2 Fe2 P4
• Calculated formula: C84 H66 Cu2 Fe2 P4
• 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: 21.973 ± 0.0003 Å
• b: 19.4588 ± 0.0004 Å
• c: 45.8368 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19598.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No