Information card for entry 4079949

Structure parameters

• Formula: C21 H19 Cl Co N2
• Calculated formula: C21 H24 Cl Co0.5 N2
• Title of publication: NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions
• Authors of publication: Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 723
• a: 20.775 ± 0.004 Å
• b: 20.749 ± 0.004 Å
• c: 18.77 ± 0.004 Å
• α: 90°
• β: 108.07 ± 0.03°
• γ: 90°
• Cell volume: 7692 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No