Information card for entry 4121101

Structure parameters

• Formula: C42.5 H67.5 Ni O2 P2
• Calculated formula: C42.5 H67.75 Ni O2 P2
• Title of publication: Isolation, Structure, and Reactivity of an Arylnickel(II) Pivalate Complex in Catalytic C-H/C-O Biaryl Coupling
• Authors of publication: Kei Muto; Junichiro Yamaguchi; Aiwen Lei; Kenichiro Itami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16384 - 16387
• a: 35.83 ± 0.012 Å
• b: 25.083 ± 0.006 Å
• c: 27.462 ± 0.008 Å
• α: 90°
• β: 136.7 ± 0.005°
• γ: 90°
• Cell volume: 16927 ± 9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No