Information card for entry 4103006

Structure parameters

• Common name: jonmg17
• Formula: C20.5 H36.5 N Ni P2 S
• Calculated formula: C20.5 H36.5 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: 8.3149 ± 0.0004 Å
• b: 15.7589 ± 0.0008 Å
• c: 17.7572 ± 0.0009 Å
• α: 81.337 ± 0.001°
• β: 88.804 ± 0.001°
• γ: 78.284 ± 0.001°
• Cell volume: 2252.21 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No