Information card for entry 7062728

Structure parameters

• Formula: C44 H34 Cl2 Co N6 O4 S2
• Calculated formula: C44 H34 Cl2 Co N6 O4 S2
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(S(=O)(=O)C)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(S(=O)(=O)C)cc1)c1[n]4cccc1.[Cl-].[Cl-]
• Title of publication: Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA
• Authors of publication: Chen, Min; Sun, Dameng; Li, Jiahe; Wang, Zhiyuan; Liu, Hongming; Pan, Lixia; Chen, Hailan; Ma, Zhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 18785 - 18793
• a: 11.5679 ± 0.0004 Å
• b: 14.3215 ± 0.0005 Å
• c: 15.9903 ± 0.0006 Å
• α: 73.603 ± 0.003°
• β: 76.313 ± 0.003°
• γ: 77.065 ± 0.003°
• Cell volume: 2433.9 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No