Information card for entry 7062501

Structure parameters

• Formula: C19 H15 Br0.08 Cl0.95 N4 Ni0.96
• Calculated formula: C19 H15 Br0.075 Cl0.9465 N4 Ni0.9615
• 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: 7.8582 ± 0.0003 Å
• b: 24.1174 ± 0.0012 Å
• c: 17.5914 ± 0.0006 Å
• α: 90°
• β: 95.976 ± 0.003°
• γ: 90°
• Cell volume: 3315.8 ± 0.2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No