Information card for entry 7120926

Structure parameters

• Formula: C24 H39 Ni P
• Calculated formula: C24 H39 Ni P
• Title of publication: Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors
• Authors of publication: Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 9.8511 ± 0.0011 Å
• b: 22.745 ± 0.002 Å
• c: 9.8693 ± 0.001 Å
• α: 90°
• β: 92.166 ± 0.002°
• γ: 90°
• Cell volume: 2209.8 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No