Information card for entry 1514543

Structure parameters

• Formula: C31 H49 N7 Ni
• Calculated formula: C31 H49 N7 Ni
• SMILES: [Ni]12(N=N1=Nc1c(C(C)C)cccc1C(C)C)=C1N(C(=C(N1CN1C(=C(N(C=21)C(C)(C)C)C)C)C)C)C(C)(C)C
• 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: 12.174 ± 0.0013 Å
• b: 26.324 ± 0.003 Å
• c: 31.697 ± 0.003 Å
• α: 112.359 ± 0.002°
• β: 99.666 ± 0.002°
• γ: 92.719 ± 0.002°
• Cell volume: 9191.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2227
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No