Information card for entry 4110158

Structure parameters

• Formula: C74 H116 N4 Ni2 O2
• Calculated formula: C74 H116 N4 Ni2 O2
• Title of publication: Generation of a Doubly Bridging CO2 Ligand and Deoxygenation of CO2 by an (NHC)Ni(0) Complex
• Authors of publication: Chang Hoon Lee; David S. Laitar; Peter Mueller; Joseph P. Sadighi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13802 - 13803
• a: 10.704 ± 0.006 Å
• b: 12.403 ± 0.008 Å
• c: 14.597 ± 0.009 Å
• α: 102.176 ± 0.015°
• β: 91.346 ± 0.019°
• γ: 112.839 ± 0.012°
• Cell volume: 1733.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No