Information card for entry 1514541

Structure parameters

• Formula: C146 H136 B2 F40 N10 Ni2
• Calculated formula: C146 H136 B2 F40 N10 Ni2
• SMILES: [Ni]1(=Nc2c(cc(cc2c2c(cccc2C(C)C)C(C)C)c2cc(c(N=[Ni]3=C4N(C(=C(N4CN4C=3N(C(=C4C)C)C(C)(C)C)C)C)C(C)(C)C)c(c2)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c2c(C(C)C)cccc2C(C)C)=C2N(C(=C(N2CN2C=1N(C(=C2C)C)C(C)(C)C)C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand
• Authors of publication: Harrold, Nicole D.; Hillhouse, Gregory L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 4011
• a: 14.779 ± 0.002 Å
• b: 15.5 ± 0.002 Å
• c: 16.733 ± 0.003 Å
• α: 92.788 ± 0.004°
• β: 98.247 ± 0.003°
• γ: 100.522 ± 0.004°
• Cell volume: 3718.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No