Information card for entry 4333539

Structure parameters

• Formula: C6 Bi2 Na11 O103 Re2 W20
• Calculated formula: C6 Bi2 Na11 O103 Re2 W20
• SMILES: O1[W]234(=O)O[W]567(=O)[O]84[Bi]4[O]9%10[W]%11%12(O5)(=O)O[W]5%13(O3)(=O)O[W]3%14%15(=O)O[W]%169(O%11)(=O)=[O][Re]([O]=3)(C#[O])(C#[O])(C#[O])[O]=[W]39%11%17O[W]%18%19%20(=O)O[W]%21%22(=O)(O[W]%23%24%25(O[W]%26%27(O%22)(=O)O[W]%22%28(O%19)(O[W]%19%29%30(O[W]%31(O%26)([O]%23%27[Bi]([O]3%20%21)[O]%28%30[W](O%18)(O%22)(O%29)(O[W](O9)(O[W]%10(O6)(O%12)(=O)O%16)(=O)(=O)O[W]18(O[W](O[W](O2)(O5)(O%14)(=O)[O]4%13%15)(=O)(O%24)(=O)O%17)(=[O][Re](C#[O])(C#[O])(C#[O])([O]=%31)[O]=%19)O7)=O)(O%25)=O)=O)=O)=O)O%11.[Na+].O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].[Na+].O
• Title of publication: Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)
• Authors of publication: Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 671 - 678
• a: 13.672 ± 0.003 Å
• b: 14.815 ± 0.003 Å
• c: 15.385 ± 0.003 Å
• α: 103.492 ± 0.003°
• β: 106.042 ± 0.003°
• γ: 104.397 ± 0.003°
• Cell volume: 2743.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0579
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No