Information card for entry 7062499

Structure parameters

• Formula: C22 H21 Cl N4 Ni
• Calculated formula: C22 H21 Cl N4 Ni
• SMILES: [Ni]12(=C3N(c4c(N2c2c5[n]1cccc5ccc2)cccc4)C=CN3CCCC)Cl
• 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: 22.2059 ± 0.0005 Å
• b: 10.1482 ± 0.0002 Å
• c: 8.5616 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1929.36 ± 0.07 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No