Information card for entry 7246462

Structure parameters

• Formula: C26 H22 Co N4 O4
• Calculated formula: C26 H22 Co N4 O4
• SMILES: [Co]12(Oc3c(OC)cccc3C=[N]1c1ncccc1)Oc1c(C=[N]2c2ncccc2)cccc1OC
• Title of publication: Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes
• Authors of publication: Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 8830 - 8843
• a: 12.562 ± 0.0015 Å
• b: 15.3891 ± 0.0008 Å
• c: 12.905 ± 0.0012 Å
• α: 90°
• β: 114.666 ± 0.007°
• γ: 90°
• Cell volume: 2267.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No