Information card for entry 7062724

Structure parameters

• Formula: C42 H34 Cl2 Co I2 N6 O3
• Calculated formula: C42 H34 Cl2 Co I2 N6 O3
• SMILES: Ic1ccc(cc1)c1cc2[n]3[Co]45([n]6ccccc26)([n]2c(c6[n]4c(c4[n]5cccc4)cc(c4ccc(I)cc4)c6)cccc2)[n]2c(c3c1)cccc2.[Cl-].[Cl-].O.O.O
• 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: 16.5178 ± 0.0009 Å
• b: 14.7305 ± 0.0009 Å
• c: 37.36 ± 0.002 Å
• α: 90°
• β: 92.85 ± 0.005°
• γ: 90°
• Cell volume: 9079 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No