Information card for entry 7712564

Structure parameters

• Formula: C39 H36 Cl2 Co N4 O7
• Calculated formula: C39 H36 Cl2 Co N4 O7
• SMILES: [Co]123([O]=C(C(=C(O1)c1ccccc1)Cl)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O(CC)CC
• Title of publication: Light-induced O₂-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.
• Authors of publication: Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.3963 ± 0.0006 Å
• b: 12.6001 ± 0.0007 Å
• c: 14.2773 ± 0.0007 Å
• α: 73.724 ± 0.002°
• β: 86.205 ± 0.002°
• γ: 69.356 ± 0.002°
• Cell volume: 1840.4 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No