Information card for entry 4333538

Structure parameters

• Formula: C6 Na11 O113 Re2 Sb2 W20
• Calculated formula: C6 Na11 O113 Re2 Sb2 W20
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[O]=[W]345(O[W]678(O[W]9%10%11(O[W]%12(O6)(O3)([O]48[Sb]3[O]4%11[W]68(O%10)(O[W]%10%11(O7)(O[W]7(O5)(=O)(O[W](=O)(O%10)(O6)(O[W]56(=O)(O[W]%104(O9)(O8)=[O][Re]4(C#[O])(C#[O])(C#[O])[O]=[W]89%13(O[W]%14%15%16(O[W]%17%18%19(O[W](O%14)(O8)([O]9%16[Sb]8[O]9%19[W]%14%16(O%18)(O[W]%18%19(O%15)(O[W]%15(O%13)(=O)(O[W](=O)(O%18)(O%14)(O[W](O%12)(O%10)(=O)(O[W]9(O%17)(O%16)(=[O]2)O6)=O)[O]8%19%15)=[O]4)=O)=O)(=O)O5)=O)=O)=O)=O)[O]3%117)=[O]1)=O)=O)=O)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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: 13.724 ± 0.006 Å
• b: 14.244 ± 0.006 Å
• c: 17.61 ± 0.007 Å
• α: 90.315 ± 0.006°
• β: 107.851 ± 0.005°
• γ: 112.456 ± 0.006°
• Cell volume: 2999 ± 2 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: 0.0873
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No