Information card for entry 4108519

Structure parameters

• Formula: C87 H74 B F24 N3 Ni O4
• Calculated formula: C87 H74 B F24 N3 Ni O4
• SMILES: [Ni]12(C3([C]1(C(=CC=C3)C(C)C)=[NH]2)C(C)C)(=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1.c1c([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(C(F)(F)F)cc(c2)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(cc1C(F)(F)F)C(F)(F)F.C1OCCC1.C1CCCO1.C1CCOC1
• 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: 12.789 ± 0.002 Å
• b: 32.507 ± 0.005 Å
• c: 20.86 ± 0.003 Å
• α: 90°
• β: 96.741 ± 0.003°
• γ: 90°
• Cell volume: 8612 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No