Information card for entry 4121706

Structure parameters

• Formula: C43 H66 Ni P2
• Calculated formula: C43 H66 Ni P2
• SMILES: [Ni]1([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)=Cc1c(cccc1c1c(C)cc(C)cc1C)c1c(cc(cc1C)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: 11.3623 ± 0.0016 Å
• b: 11.4984 ± 0.0016 Å
• c: 30.63 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4001.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No