Information card for entry 4135298

Structure parameters

• Formula: C27 H18 Cl2
• Calculated formula: C27 H18 Cl2
• Title of publication: A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.
• Authors of publication: Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.401 ± 0.004 Å
• b: 8.962 ± 0.004 Å
• c: 15.78 ± 0.008 Å
• α: 103.367 ± 0.009°
• β: 93.159 ± 0.014°
• γ: 116.101 ± 0.01°
• Cell volume: 1021.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No