Information card for entry 7062727

Structure parameters

• Formula: C42 H30 Cl2 Co N6
• Calculated formula: C42 H30 Cl2 Co N6
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccccc1)c1[n]2cccc1)[n]1c(c2[n]4c(cc(c2)c2ccccc2)c2[n]3cccc2)cccc1.[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: 10.6413 ± 0.0007 Å
• b: 11.5087 ± 0.0006 Å
• c: 19.8685 ± 0.0011 Å
• α: 97.12 ± 0.004°
• β: 95.761 ± 0.005°
• γ: 111.838 ± 0.006°
• Cell volume: 2212.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No