Information card for entry 7062500

Structure parameters

• Formula: C23 H27 Br0.11 Cl0.89 N4 Ni
• Calculated formula: C23 H27 Br0.106 Cl0.894 N4 Ni
• Title of publication: Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions
• Authors of publication: Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 26
• Pages of publication: 12229 - 12238
• a: 8.3434 ± 0.0002 Å
• b: 14.2256 ± 0.0004 Å
• c: 17.7157 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2102.67 ± 0.09 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0486
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No