Information card for entry 4079947

Structure parameters

• Formula: C48 H54 Cl2 Co N4
• Calculated formula: C48 H54 Cl2 Co N4
• SMILES: [Co](Cl)(Cl)(=C1N(C=CN1c1c(C)cc(cc1C)C)c1c(cc(C)cc1C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.c1ccccc1
• 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: 11.465 ± 0.002 Å
• b: 14.463 ± 0.003 Å
• c: 26.036 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4317.2 ± 1.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0872
• 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