Information card for entry 4334647

Structure parameters

• Formula: C6 H86 Bi2 Mn2 N4 Na4 O104 W20
• Calculated formula: C6 H86 Bi2 Mn2 N4 Na4 O104 W20
• SMILES: [Bi]12[O]34[W]567(=O)O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%18%19(=O)O[W](O[W](O[W]%20(O[W]%21(=O)(=O)(O5)O[W]5%22(=O)(=[O][Mn]([O]=[W]4(O[W]3(=O)(O8)(O%15)O7)(=O)(O6)O%18)([O]=%17)([OH2])([OH2])[OH2])[O]34[Bi]6[O]78[W]%15%17(=O)(O[W]%184(O[W]43(O[W]3%23%24(O[W]%25%26(=O)(O[W](O%21)(O3)(=O)(O4)[O]6%24%26)=[O][Mn]([O]=%20)([OH2])([OH2])([OH2])[O]=[W]8(O[W]7(=O)(O%18)(O%23)O%17)(=O)(O%15)O%25)=O)(=O)O5)(=O)O%22)=O)([O]19%11)(O%13)O%10)(=O)=O)(O%14)(=O)(O%12)[O]2%16%19)=O)=O)=O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.c1[nH]cc[nH+]1.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.c1[nH]cc[nH+]1
• Title of publication: Novel Antitumor Agent, Trilacunary Keggin-Type Tungstobismuthate, Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer SGC-7901 Cells
• Authors of publication: Lu Wang; Bai-Bin Zhou; Kai Yu; Zhan-Hua Su; Song Gao; Li-Li Chu; Jia-Ren Liu; Guo-Yu Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5119 - 5127
• a: 12.4895 ± 0.0006 Å
• b: 13.7523 ± 0.0006 Å
• c: 17.0756 ± 0.0008 Å
• α: 69.629 ± 0.002°
• β: 83.356 ± 0.002°
• γ: 64.836 ± 0.002°
• Cell volume: 2486.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No