Information card for entry 4121705

Structure parameters

• Formula: C43 H66 N2 Ni P2
• Calculated formula: C43 H66 N2 Ni P2
• SMILES: [Ni]12([N](#[N]1)=Cc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[P](CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Three-coordinate nickel carbene complexes and their one-electron oxidation products.
• Authors of publication: Iluc, Vlad M.; Hillhouse, Gregory L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6479 - 6488
• a: 8.8867 ± 0.0018 Å
• b: 22.452 ± 0.005 Å
• c: 20.673 ± 0.004 Å
• α: 90°
• β: 93.025 ± 0.004°
• γ: 90°
• Cell volume: 4119 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No