Information card for entry 7704504

Structure parameters

• Formula: C52 H38 N12 O8 S2 Zn
• Calculated formula: C52 H38 N12 O8 S2 Zn
• SMILES: [Zn]1234([n]5c6ccccc6[nH]c5c5[n]1c(ccc5)c1[n]2c2c([nH]1)cccc2)[n]1c2ccccc2[nH]c1c1[n]3c(ccc1)c1[n]4c2c([nH]1)cccc2.S1(=O)([O-])=NC(=O)c2ccccc12.S1(=O)([O-])=NC(=O)c2ccccc12.O.O
• Title of publication: Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.
• Authors of publication: Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7842 - 7851
• a: 10.1938 ± 0.0005 Å
• b: 12.5434 ± 0.0009 Å
• c: 19.5581 ± 0.0014 Å
• α: 88.57 ± 0.006°
• β: 82.144 ± 0.005°
• γ: 76.167 ± 0.005°
• Cell volume: 2405.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No