Information card for entry 7227018

Structure parameters

• Formula: C14 H116 Mn6 N2 Na6 O118 Sb2 W18
• Calculated formula: C14 H24 Mn6 N2 Na6 O118 Sb2 W18
• SMILES: C(#[O])[Mn]12([O]3[W]456(=O)O[W]789(=O)=[O][Mn]%10%11([O]=[W]%12%13%14%15=[O][Mn]%16([O]=[W]%17%18%19(=O)O[W]%20%21(=O)(=[O]%16)O[W]%16%22(=O)(=[O]%10)O[W]%10%23(=O)(O[W]%24%25(=O)(O[W]%26%27(=O)(=[O][Mn]%28([OH2])([OH2])([O]=[W]%29%30%31(=O)O[W]%32%33%34(=O)=[O][Mn]([O]=[W]%35%36(=[O]%28)(=[O]%11)O[W]%11%28(=O)([O]%10[Mn]%10(C#[O])(C#[O])(C#[O])[O]%24[W](=O)([O]%11%10)(O%26)(O%35)[O]%36%28[Sb]([O]%19%25%27)[O]%21%22%23)O%16)([O]=[W](=O)(O7)(O4)([O]59[Sb]4[O]%31%34[W](=O)(O6)([O]1[W]1(=O)(O%30)([O]2[W]3(=O)(O8)(O%12)[O]%1541)O%14)(O%29)O%33)O%32)([OH2])[OH2])[O]=%13)O%17)O%18)O%20)([OH2])[OH2])([OH2])[OH2])(C#[O])C#[O].C[N+](C)(C)C.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.C[N+](C)(C)C.O.O.O.O.O
• Title of publication: Synthesis and characterization of a series of novel polyoxometalate-supported carbonyl manganese derivatives
• Authors of publication: Jia, Jiage; Zhang, Yanhui; Zhang, Panpan; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.4654 ± 0.0012 Å
• b: 14.4945 ± 0.001 Å
• c: 25.9004 ± 0.0018 Å
• α: 90°
• β: 105.381 ± 0.001°
• γ: 90°
• Cell volume: 5959.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0502
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No