Information card for entry 4066256

Structure parameters

• Formula: C28 H32 Ni P2 S2
• Calculated formula: C28 H32 Ni P2 S2
• SMILES: [Ni]([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)(Sc1ccccc1)Sc1ccccc1
• Title of publication: Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems†
• Authors of publication: Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5098
• a: 8.0853 ± 0.0009 Å
• b: 8.9069 ± 0.0009 Å
• c: 10.0072 ± 0.0011 Å
• α: 90.397 ± 0.002°
• β: 110.57 ± 0.002°
• γ: 101.009 ± 0.002°
• Cell volume: 660.15 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No