Information card for entry 4123536

Structure parameters

• Common name: (PPOPhP)Ni(CO)
• Formula: C31 H41 Ni O2 P3
• Calculated formula: C31 H41 Ni O2 P3
• SMILES: [Ni]12([P](c3ccccc3[P]1(Oc1ccccc1)c1ccccc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.
• Authors of publication: Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 13
• Pages of publication: 4280 - 4283
• a: 9.378 ± 0.0004 Å
• b: 12.5499 ± 0.0006 Å
• c: 13.2723 ± 0.0006 Å
• α: 95.613 ± 0.003°
• β: 95.551 ± 0.003°
• γ: 95.189 ± 0.003°
• Cell volume: 1539.39 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No