Information card for entry 4134386

Structure parameters

• Formula: C30 H29 N5 Ni O
• Calculated formula: C30 H29 N5 Ni O
• Title of publication: General C(sp²)-C(sp³) Cross-Electrophile Coupling Reactions Enabled by Overcharge Protection of Homogeneous Electrocatalysts.
• Authors of publication: Truesdell, Blaise L.; Hamby, Taylor B.; Sevov, Christo S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.8094 ± 0.0012 Å
• b: 9.1663 ± 0.0006 Å
• c: 18.1044 ± 0.0011 Å
• α: 90°
• β: 107.105 ± 0.002°
• γ: 90°
• Cell volume: 2507.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No