Information card for entry 7701894

Structure parameters

• Formula: C44 H44 Ni O P2 S2
• Calculated formula: C44 H44 Ni O P2 S2
• Title of publication: Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes.
• Authors of publication: Zhang, Ailing; Wang, Congxiao; Lai, Xiaoyu; Zhai, Xiaofang; Pang, Maofu; Tung, Chen-Ho; Wang, Wenguang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15757 - 15764
• a: 9.5713 ± 0.0003 Å
• b: 13.7242 ± 0.0005 Å
• c: 14.7211 ± 0.0003 Å
• α: 85.898 ± 0.002°
• β: 86.077 ± 0.002°
• γ: 80.81 ± 0.003°
• Cell volume: 1900.84 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No