Information card for entry 4301146

Structure parameters

• Formula: C30 H48 Ni O0.5 P2
• Calculated formula: C30 H48 Ni O0.5 P2
• Title of publication: Stereoselective Hydrogenation of Aromatic Alkynes Using Water, Triethylsilane, or Methanol, Mediated and Catalyzed by Ni(0) Complexes
• Authors of publication: Rigoberto Barrios-Francisco; Juventino J. García
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 386 - 393
• a: 11.2062 ± 0.0015 Å
• b: 15.874 ± 0.002 Å
• c: 16.66 ± 0.002 Å
• α: 90°
• β: 94.364 ± 0.003°
• γ: 90°
• Cell volume: 2955 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No