Information card for entry 4103003

Structure parameters

• Common name: jonmg11
• Formula: C19 H35 N Ni P2 S
• Calculated formula: C19 H35 N Ni P2 S
• Title of publication: Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2
• Authors of publication: Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12412 - 12421
• a: 10.4699 ± 0.001 Å
• b: 14.4005 ± 0.0014 Å
• c: 14.6794 ± 0.0015 Å
• α: 90°
• β: 105.735 ± 0.002°
• γ: 90°
• Cell volume: 2130.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No