Information card for entry 7246459

Structure parameters

• Formula: C21 H18 N2 O4
• Calculated formula: C21 H18 N2 O4
• SMILES: O1c2c(cccc2OC)[C@H]2Oc3c(OC)cccc3[C@@H]1N2c1ncccc1.O1c2c(cccc2OC)[C@@H]2Oc3c(OC)cccc3[C@H]1N2c1ncccc1
• 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: 9.288 ± 0.0005 Å
• b: 9.6491 ± 0.0005 Å
• c: 10.2198 ± 0.0005 Å
• α: 66.574 ± 0.004°
• β: 82.57 ± 0.004°
• γ: 84.516 ± 0.004°
• Cell volume: 832.37 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No