Information card for entry 7246461

Structure parameters

• Formula: C35 H44 Co N3 O8
• Calculated formula: C35 H44 Co N3 O8
• SMILES: [Co]1234(Oc5ccccc5[N]4=Cc4c(O1)c(OC)ccc4)Oc1ccccc1[N]3=Cc1c(O2)c(OC)ccc1.O.OC.[NH+](CC)(CC)CC
• 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: 11.359 ± 0.003 Å
• b: 11.974 ± 0.007 Å
• c: 24.537 ± 0.007 Å
• α: 90°
• β: 99.62 ± 0.02°
• γ: 90°
• Cell volume: 3290 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No