Information card for entry 2241693

Structure parameters

• Common name: Manganese(II) Wells‒Dawson polyoxotungstate
• Chemical name: Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) decakis(dimethylformamide-1κ^5^<i>O</i>,2κ^5^<i>O</i>)[μ-octadecatungstodiphosphato(V)-κ<i>O</i>:κ<i>O</i>']dimanganate(II) dimethylformamide disolvate
• Formula: C54 H126 Mn3 N18 O80 P2 W18
• Calculated formula: C54 H126 Mn3 N18 O80 P2 W18
• SMILES: C(N(C)C)=[O][Mn]([O]=[W]1234O[W]567(O[W]89%10(O[W]%11%12(O5)(O[W]5%13%14([O]%15=P%16([O]7%10%12)[O]1[W](O%11)(O2)(O%13)(O[W]127(O[W]%10%11%12(O[W]%13%17%18(O[W]%19%20(O%10)(O[W]%10%21%22([O]%23=P%24([O]%12%18%20)[O]%12[W](O%11)(O7)(O[W]%12(O%19)(O%21)(O[W]%15(O9)(O[W]7(O8)([O]%16[W](O6)(O7)(O3)(=O)O[W]%23(O%13)(O%10)(O[W](O4)(O%17)([O]1%24)(O2)=O)=O)(=O)O%22)(O5)=O)=[O][Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)(O%14)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.N(C=[O][Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Crystal structure of hexakis(dimethylformamide-κ<i>O</i>)manganese(II) decakis(dimethylformamide-1κ^5^<i>O</i>,2κ^5^<i>O</i>)[μ-octadecatungstodiphosphato(V)-κ<i>O</i>:κ<i>O</i>']dimanganate(II) dimethylformamide disolvate
• Authors of publication: Dhifallah, Fatma; Belkhiria, Mohamed Salah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 841 - 844
• a: 26.9702 ± 0.0005 Å
• b: 14.3845 ± 0.0002 Å
• c: 34.1762 ± 0.0007 Å
• α: 90°
• β: 111.896 ± 0.002°
• γ: 90°
• Cell volume: 12302.3 ± 0.4 ų
• Cell temperature: 203 ± 0.1 K
• Ambient diffraction temperature: 203 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes