Information card for entry 4108521

Structure parameters

• Formula: C69 H76 B F24 N3 Ni O Si2
• Calculated formula: C69 H76 B F24 N3 Ni O Si2
• SMILES: [Ni](N([Si](C)(C)[O](CC)CC)[Si](C)(C)C)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C.c1c(C(F)(F)F)cc(cc1[B-](c1cc(cc(c1)C1([F][F]1)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
• 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: 12.609 ± 0.004 Å
• b: 15.987 ± 0.005 Å
• c: 19.734 ± 0.007 Å
• α: 104.523 ± 0.005°
• β: 96.711 ± 0.007°
• γ: 91.746 ± 0.007°
• Cell volume: 3817 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No