Information card for entry 7712567

Structure parameters

• Formula: C24 H22 Cl2 Co N6 O8
• Calculated formula: C24 H22 Cl2 Co N6 O8
• SMILES: [Co]12([n]3c(c4[n]1cccc4)cccc3)([n]1c(c3[n]2cccc3)cccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 10.0272 ± 0.0008 Å
• b: 10.227 ± 0.0006 Å
• c: 15.4354 ± 0.0006 Å
• α: 82.304 ± 0.004°
• β: 83.219 ± 0.004°
• γ: 61.217 ± 0.007°
• Cell volume: 1372.19 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0533
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No