Information card for entry 4081433

Structure parameters

• Formula: C23 H45 N Ni P2
• Calculated formula: C23 H45 N Ni P2
• SMILES: [Ni]1([P](CN(C[P]1(C(C)C)C(C)C)Cc1ccccc1)(C(C)C)C(C)C)(C)C
• Title of publication: Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole
• Authors of publication: Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5153
• a: 8.1001 ± 0.0003 Å
• b: 14.4306 ± 0.0004 Å
• c: 21.9136 ± 0.0008 Å
• α: 89.652 ± 0.003°
• β: 82.032 ± 0.003°
• γ: 85.869 ± 0.003°
• Cell volume: 2530.13 ± 0.15 ų
• Cell temperature: 115 ± 1 K
• Ambient diffraction temperature: 115 ± 1 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: 0.0656
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No