Information card for entry 4135214

Structure parameters

• Formula: C26.5 H35 Cl Ni O3 P2 S
• Calculated formula: C26.5 H35 Cl Ni O3 P2 S
• Title of publication: Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0).
• Authors of publication: Entz, Emily D.; Russell, John; Hooker, Leidy; Neufeldt, Sharon R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.9661 ± 0.0006 Å
• b: 20.2493 ± 0.0011 Å
• c: 12.9096 ± 0.0007 Å
• α: 90°
• β: 102.242 ± 0.002°
• γ: 90°
• Cell volume: 2801.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No