Information card for entry 7057470

Structure parameters

• Chemical name: 2018Li01
• Formula: C28 H28 N4 Ni
• Calculated formula: C28 H28 N4 Ni
• Title of publication: Sonogashira reactions of alkyl halides catalyzed by NHC [CNN] pincer nickel(ii) complexes
• Authors of publication: Wang, Zijing; Zheng, Tingting; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11465
• a: 11.193 ± 0.0001 Å
• b: 8.6954 ± 0.0001 Å
• c: 24.4859 ± 0.0004 Å
• α: 90°
• β: 94.637 ± 0.001°
• γ: 90°
• Cell volume: 2375.35 ± 0.05 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9755
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No