Information card for entry 4333540

Structure parameters

• Formula: C6 K9 Mn2 Na3 O83 Sb2 W20
• Calculated formula: C6 K9 Mn2 Na3 O83 Sb2 W20
• SMILES: C([Mn]12(C#[O])(C#[O])[O]=[W]345(=O)O[W]678(O[W]9%10(O3)(O[W]3%11(O6)(O[W]6%12%13(O[W]%14%15(O7)(=O)O[W]7(O4)(=O)(=[O]1)O[W]1(O%13)(O%14)(O[W]4%13(O[W]%14%16%17(O[W]%18%19%20(=[O][Mn]%21([O]=[W](O3)(O[W]3(O9)(=O)(=O)O[W]9%22(O[W]%23%24(O[W]%25(O%18)(O%14)(=O)O[W]%14%18%26(O[W]%27%28(O[W](O%23)(O%18)(O9)(=O)[O]%22%24[Sb]([O]%14%28[W](O%27)(O%19)(O%26)(=O)=[O]%21)[O]%17%20%25)(O3)=O)=O)(O%16)=O)(O4)=[O]2)(O6)([O]%11%12[Sb]([O]58%10)[O]%1571)O%13)(C#[O])(C#[O])C#[O])=O)=O)(=O)=O)=O)=O)=O)=O)=O)#[O].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.[K+].[K+].[K+].[K+].[Na+].[Na+].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: 12.4433 ± 0.001 Å
• b: 13.0947 ± 0.001 Å
• c: 15.8076 ± 0.0013 Å
• α: 83.375 ± 0.001°
• β: 74.307 ± 0.001°
• γ: 75.043 ± 0.001°
• Cell volume: 2392.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No