Information card for entry 1515418

Structure parameters

• Formula: C91 H96 B Cl3 F24 N4 Ni2 Si
• Calculated formula: C91 H96 B Cl3 F24 N4 Ni2 Si
• SMILES: [Ni]12([Ni]([Cl]1)(C2[Si](C)(C)C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)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: 13.729 ± 0.005 Å
• b: 17.963 ± 0.006 Å
• c: 20.822 ± 0.007 Å
• α: 69.525 ± 0.006°
• β: 73.169 ± 0.006°
• γ: 82.761 ± 0.006°
• Cell volume: 4603 ± 3 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: 0.0765
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No