Information card for entry 4515671

Structure parameters

• Formula: C97 H92 N2 Ni O8.5
• Calculated formula: C95 H88 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: 14.0561 ± 0.0003 Å
• b: 14.806 ± 0.0004 Å
• c: 22.1265 ± 0.0003 Å
• α: 93.854 ± 0.002°
• β: 102.679 ± 0.002°
• γ: 118.29 ± 0.002°
• Cell volume: 3876.59 ± 0.17 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: 0.0453
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No