Information card for entry 4066257

Structure parameters

• Formula: C38 H36 Ni P2 S2
• Calculated formula: C38 H36 Ni P2 S2
• SMILES: S([Ni]([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1
• 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: 21.7484 ± 0.0015 Å
• b: 8.9734 ± 0.0006 Å
• c: 16.5363 ± 0.0011 Å
• α: 90°
• β: 100.638 ± 0.001°
• γ: 90°
• Cell volume: 3171.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No