Information card for entry 7712565

Structure parameters

• Formula: C37 H30 Cl2 Co N4 O8
• Calculated formula: C37 H30 Cl2 Co N4 O8
• SMILES: [Co]123([O]=C(C(Cl)=C(O1)c1ccc(OC)cc1)c1ccc(OC)cc1)([n]1c(c4[n]2cccc4)cccc1)[n]1ccccc1c1[n]3cccc1.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: 13.8215 ± 0.0007 Å
• b: 18.074 ± 0.001 Å
• c: 14.7453 ± 0.0007 Å
• α: 90°
• β: 110.426 ± 0.002°
• γ: 90°
• Cell volume: 3451.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No