Information card for entry 7041873

Structure parameters

• Formula: C6 H82 Bi2 N4 Na4 Ni3 O105.5 W19
• Calculated formula: C6 H82 Bi2 N4 Na4 Ni2.998 O105.5 W19.002
• SMILES: [Bi]12[O]34[W]567(=O)O[W]89%10(=O)[O]%111[W]1%12(=[O][Ni]%13([O]=[W]4(O[W]43(=O)(=[O][Ni]3%14([O]=[W]%15%16%17%18O[W]%19(=O)(O[W]%11(=O)(O[W]%11(O[W]([O]2%15%11)(O5)(=O)(O4)O%18)(O%16)(=O)O9)(O1)O%10)(=O)O[W]124(O[W]59%10([O]%111[Bi]1[O]%15%16[W]%18(=[O][Ni]([O]=%17)([OH2])([OH2])([OH2])[O]=5)(O[W]5%16(=O)(O[W]%16%17%20(O[W]%21([O]1%16[W](=[O]3)(O%17)(=[O]%13)(O%21)O%19)(O[W]%11(=O)(O[W]%15(=O)(O%18)(O%20)O5)(O%10)O4)(=O)O2)=O)=[O]%14)(=O)O9)=O)=O)([OH2])[OH2])O7)(=O)(O%12)O6)([OH2])([OH2])[OH2])(=O)O8.[Na+].[Na+].c1[nH]cc[nH+]1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].c1[nH]cc[nH+]1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• 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: 12.4706 ± 0.0005 Å
• b: 13.6489 ± 0.0005 Å
• c: 16.9382 ± 0.0006 Å
• α: 69.435 ± 0.003°
• β: 82.923 ± 0.003°
• γ: 64.629 ± 0.004°
• Cell volume: 2437.71 ± 0.19 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: 0.0493
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No