Information card for entry 7709081

Structure parameters

• Formula: C21 H19 Co N8 O2
• Calculated formula: C21 H19 Co N8 O2
• SMILES: [Co]123(OC[C@H]([N]2=Cc2ccccc2[O]1Cc1[n]3cccc1)c1ccccc1)(N=N#N)N=N#N
• Title of publication: Evaluation of anticancer activities varying ligand’s substituents in Co(II/III)-picolyl phenolate derivatives: Synthesis, characterization, DFT, DNA cleavage and molecular docking studies
• Authors of publication: Jana, Abhimanyu; Aher, Abhishek; Brandão, Paula; Bera, Pradip; Sharda, Saphy; Phadikar, Ujjwal; Manna, Sunil; Mahapatra, Ajit Kumar; Bera, Pulakesh
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.9275 ± 0.0012 Å
• b: 14.1515 ± 0.0016 Å
• c: 14.8834 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No