Information card for entry 4079948

Structure parameters

• Formula: C42 H48 Cl4 Co2 N4
• Calculated formula: C42 H48 Cl4 Co2 N4
• SMILES: C1N(c2c(cc(cc2C)C)C)C(=[Co]2(Cl)[Cl][Co](=C3N(C=CN3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)(Cl)[Cl]2)N(C=1)c1c(cc(cc1C)C)C
• 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: 11.333 ± 0.002 Å
• b: 17.892 ± 0.003 Å
• c: 11.264 ± 0.002 Å
• α: 90°
• β: 114.816 ± 0.002°
• γ: 90°
• Cell volume: 2073.1 ± 0.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No