Information card for entry 4066258

Structure parameters

• Formula: C36 H64 Ni P2 S2
• Calculated formula: C36 H64 Ni P2 S2
• SMILES: [Ni]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(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: 8.2875 ± 0.0005 Å
• b: 10.2177 ± 0.0006 Å
• c: 11.7515 ± 0.0007 Å
• α: 77.776 ± 0.001°
• β: 87.051 ± 0.001°
• γ: 84.876 ± 0.001°
• Cell volume: 968.12 ± 0.1 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: 0.0921
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No