Information card for entry 4108518

Structure parameters

• Formula: C83 H120 N6 Ni2
• Calculated formula: C83 H120 N6 Ni2
• SMILES: [Ni](Nc1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.C(CC)CC
• Title of publication: Two-Coordinate d9 Complexes. Synthesis and Oxidation of NHC Nickel(I) Amides
• Authors of publication: Carl A. Laskowski; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13846 - 13847
• a: 41.431 ± 0.005 Å
• b: 11.9142 ± 0.0015 Å
• c: 32.218 ± 0.004 Å
• α: 90°
• β: 101.082 ± 0.003°
• γ: 90°
• Cell volume: 15607 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No