Information card for entry 7129757

Structure parameters

• Formula: C18 H22 Cl2 N2 Ni O2
• Calculated formula: C18 H22 Cl2 N2 Ni O2
• Title of publication: Merging C-C -Bond Activation of Cyclobutanones with CO2 Fixation via Ni-Catalysis
• Authors of publication: Lombardi, Lorenzo; Cerveri, Alessandro; Ceccon, Leonardo; Pedrazzani, Riccardo; MONARI, MAGDA; Bertuzzi, Giulio; Bandini, Marco
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.797 ± 0.003 Å
• b: 12.158 ± 0.004 Å
• c: 19.362 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No