Information card for entry 4515670

Structure parameters

• Formula: C47.5 H70 N2 Ni O8
• Calculated formula: C47.5 H70 N2 Ni O8
• Title of publication: Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.
• Authors of publication: Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John
• Journal of publication: ACS catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6606 - 6611
• a: 11.54858 ± 0.00016 Å
• b: 30.1957 ± 0.0004 Å
• c: 32.8403 ± 0.0004 Å
• α: 64.8392 ± 0.0012°
• β: 80.3426 ± 0.0011°
• γ: 86.1838 ± 0.0011°
• Cell volume: 10218.4 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No