Information card for entry 7132385

Structure parameters

• Formula: C42 H66 Ni P2
• Calculated formula: C42 H66 Ni P2
• SMILES: [Ni]12([P](C3CCCCC3)(C3CCCCC3)CC34C2C2(C[P]1(C1CCCCC1)C1CCCCC1)CC(CC(C3)C2)C4)c1ccccc1
• Title of publication: Accessing Ni(0) to Ni(IV) <i>via</i> nickel-carbon-phosphorus bond reorganization.
• Authors of publication: Lin, Lirong; Tresp, David S.; Spasyuk, Denis M.; Lalancette, Roger A.; Prokopchuk, Demyan E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 674 - 677
• a: 18.802 ± 0.0002 Å
• b: 17.9299 ± 0.0002 Å
• c: 22.3674 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7540.45 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No