Information card for entry 4081434

Structure parameters

• Formula: C21 H50 Cl N Ni P2 Si
• Calculated formula: C21 H50 Cl N Ni P2 Si
• SMILES: [Ni]1(Cl)([P](CN(C[P]1(C(C)C)C(C)C)C(C)C)(C(C)C)C(C)C)C[Si](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: 11.09533 ± 0.00009 Å
• b: 15.85188 ± 0.00018 Å
• c: 16.66637 ± 0.00018 Å
• α: 70.6889 ± 0.001°
• β: 87.1736 ± 0.0008°
• γ: 88.1818 ± 0.0008°
• Cell volume: 2762.65 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No