Information card for entry 4126433

Structure parameters

• Formula: C44.48 H57.96 N4 Ni2
• Calculated formula: C44.4815 H57.9556 N4 Ni2
• Title of publication: Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.
• Authors of publication: Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 37.4644 ± 0.0007 Å
• b: 37.4644 ± 0.0007 Å
• c: 14.7323 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17907.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No