Information card for entry 7041872

Structure parameters

• Formula: C6 H74 Bi2 N4 Na4 O101 W20 Zn2
• Calculated formula: C6 H74 Bi2 N4 Na4 O101 W20 Zn2
• SMILES: c1cc[nH][nH+]1.O1[W]234(O[W]567(O[W]89%10(O[W]%11%12(O3)(=O)[O]3%13[W]%14%15(=[O][Zn]%16([O]=[W]%17(O%15)(O[W]%151(O[W]1%18(=O)(O[W]%19(O5)([O]78[Bi]3[O]2%17%15)(O9)O[W]2(=O)(=O)(O[W]357(O[W]89%15(O[W]%17%20(=O)([O]%21%22[W]%23(O[W]%21(O1)(=[O]%16)(O%20)O2)(=O)(O%17)O[W]12(O[W]%16%17%20(=O)[O]1([W](O%18)(=O)(O%20)(O%23)O2)[Bi]%22[O]5%15[W](O8)(=O)(O7)(O%17)=[O][Zn]([OH2])([OH2])([O]=%16)([O]=%19)[OH2])(=O)O9)O3)=O)=O)O[W]%13(O%14)(=O)(O%10)O%12)=O)(O6)=O)(=O)O4)([OH2])([OH2])[OH2])(O%11)=O)=O)=O)=O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.c1cc[nH][nH+]1
• Title of publication: Inhibitory effects of different substituted transition metal-based krebs-type sandwich structures on human hepatocellular carcinoma cells.
• Authors of publication: Wang, Lu; Yu, K.; Zhu, J.; Zhou, B. B.; Liu, J. R.; Yang, G. Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2874 - 2883
• a: 12.549 ± 0.005 Å
• b: 13.769 ± 0.005 Å
• c: 17.098 ± 0.006 Å
• α: 68.787 ± 0.005°
• β: 83.447 ± 0.005°
• γ: 65.422 ± 0.004°
• Cell volume: 2502.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No