Information card for entry 1515417

Structure parameters

• Formula: C100 H96 B Cl3 F24 N4 Ni2
• Calculated formula: C100 H96 B Cl3 F24 N4 Ni2
• SMILES: [Ni]12([Ni]34([Cl]1)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C]1(=[CH]3C=CC=C1)C24c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc(cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(C(F)(F)F)c2)C(F)(F)F)c1)C(F)(F)F.ClCCl
• Title of publication: Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands
• Authors of publication: Laskowski, Carl A.; Hillhouse, Gregory L.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 321
• a: 15.022 ± 0.003 Å
• b: 18.047 ± 0.004 Å
• c: 20.367 ± 0.004 Å
• α: 105.35 ± 0.004°
• β: 111.153 ± 0.004°
• γ: 100.049 ± 0.004°
• Cell volume: 4736.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No