Information card for entry 1542747

Structure parameters

• Formula: C60 H235 Cl Co4 N49 O133 Sb9 W24
• Calculated formula: C60 H106 Cl Co4 N49 O118 Sb9 W24
• SMILES: [W]12345O[W]678(O[W]9%10%11(=O)[O]%12%13[W]%14%15(=[O][Co]%16%17%18([O]=[W]%19%20%21%22O[W]%23%24%25(O[W]%26%27%28(O[Sb](O%14)(O%19)=[O][Co]%14([O]=[Sb]%19%29O[W]%30%31%32%33O[W]%34%35%36(O[W]%37%38(O[W]%39%40(=[O][Co]%41%42([O]=[W]%43%44(=O)(O[Sb]([O]([Sb](O[W]%45%46(O[W]%47([O]%16%46[Sb]%13[O]47[W](O%45)(O2)(O6)(=O)O%47)(=O)(O[W]%12(O%10)(O%15)(O8)=O)=[O]%18)(=O)=[O]%17)O5)[Sb](O%21)O[W]245(O[W]6(=O)(O%23)([O]%20%24[Sb]7[O]8%28[W]%10(O[W]8(O[W]8(O2)(=[O][Co]([O]=%10)([O]=4)([O]=%32)([O]578)[N]24CN5CN(C4)CN(C2)C5)(O6)=O)(O%27)(=O)O%25)(O%26)(=O)O%19)O%22)=O)O%31)[O]2%41[W]4(=[O]%42)(O%43)(O[W](O%37)(O%34)([O]%38%39[Sb]2[O]%33%35[W](O%30)(O%44)(O4)(=O)O%36)(O%40)=O)=O)([O]=3)[N]23CN4CN(C3)CN(C2)C4)(O[Sb](O1)(O9)=[O]%14)=O)(=O)O%29)=O)([OH2])([OH2])[OH2])=O)=O)[N]12CN3CN(C1)CN(C3)C2)(O%11)=O)=O.[Cl-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.N12CN3CN(CN(C1)C3)C2.N12CN3CN(C1)CN(C2)C3.N12CN3CN(CN(C3)C2)C1.N12CN3CN(CN(C1)C3)C2.N12CN3CN(C2)CN(C1)C3.N12CN3CN(C2)CN(C3)C1.[NH4+].N12CN3CN(CN(C1)C3)C2.N12CN3CN(C1)CN(C3)C2.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks
• Authors of publication: Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4220
• a: 21.9241 ± 0.0013 Å
• b: 26.104 ± 0.0015 Å
• c: 42.1665 ± 0.0019 Å
• α: 90°
• β: 119.618 ± 0.002°
• γ: 90°
• Cell volume: 20979 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No