Information card for entry 4066255

Structure parameters

• Formula: C26 H36 Ni O4 P2
• Calculated formula: C26 H36 Ni O4 P2
• SMILES: C[P](c1ccccc1)([Ni]12(OC(=CC(C)=[O]1)C)(OC(=CC(C)=[O]2)C)[P](C)(C)c1ccccc1)C
• 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: 8.4311 ± 0.0013 Å
• b: 8.955 ± 0.0014 Å
• c: 10.1684 ± 0.0016 Å
• α: 65.472 ± 0.002°
• β: 79.661 ± 0.003°
• γ: 75.752 ± 0.003°
• Cell volume: 674.35 ± 0.18 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: 0.0334
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No