Information card for entry 7120525

Structure parameters

• Formula: C20 H25 Cl N4 Ni
• Calculated formula: C20 H25 Cl N4 Ni
• Title of publication: Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes
• Authors of publication: Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.2091 ± 0.0012 Å
• b: 11.2996 ± 0.0005 Å
• c: 16.684 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1924.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No