Information card for entry 7709082

Structure parameters

• Formula: C16 H17 Cl2 Co N2 O2
• Calculated formula: C16 H16 Cl2 Co N2 O2
• 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: 13.3626 ± 0.0009 Å
• b: 8.7473 ± 0.0006 Å
• c: 14.7469 ± 0.0009 Å
• α: 90°
• β: 93.525 ± 0.003°
• γ: 90°
• Cell volume: 1720.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No