Information card for entry 4347303

Structure parameters

• Formula: C46 H62 Co N4
• Calculated formula: C46 H62 Co N4
• SMILES: [Co](N(c1c(cccc1C(C)C)C(C)C)C1=CCCCC1)(N(C1=CCCCC1)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.
• Authors of publication: Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4223 - 4232
• a: 10.6653 ± 0.001 Å
• b: 36.834 ± 0.004 Å
• c: 21.08 ± 0.002 Å
• α: 90°
• β: 97.136 ± 0.004°
• γ: 90°
• Cell volume: 8217 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No