Information card for entry 7046470

Structure parameters

• Formula: C20 H32 Cl N3 Ni
• Calculated formula: C20 H32 Cl N3 Ni
• Title of publication: Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.
• Authors of publication: Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 8003 - 8012
• a: 15.2771 ± 0.001 Å
• b: 10.0576 ± 0.0005 Å
• c: 15.8197 ± 0.001 Å
• α: 90°
• β: 115.809 ± 0.008°
• γ: 90°
• Cell volume: 2188.2 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No