Information card for entry 2225232

Structure parameters

• Common name: Pentaammoniun heptasodium heteropolyoxometallate heneicosahydrate
• Chemical name: Pentaammonium heptasodium bis[pentakis(μ~2~-oxido)decaoxidobis(μ~5~- phosphato)pentamolybdenum(VI)] henicosahydrate
• Formula: H62 Mo10 N5 Na7 O67 P4
• Calculated formula: H62 Mo10 N5 Na7 O67 P4
• SMILES: [Mo]12(OP3(=O)O[Mo]45(OP(=O)(O[Mo](=O)(=O)(O1)O[Mo](O3)(=O)(=O)O4)O[Mo](=O)(=O)(O5)O2)(=O)=O)(=O)=O.[Mo]12(OP3(=O)O[Mo]45(OP(=O)(O[Mo](=O)(=O)(O1)O[Mo](O3)(=O)(=O)O4)O[Mo](=O)(=O)(O5)O2)(=O)=O)(=O)=O.[Na+].[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.O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Pentaammonium heptasodium bis[pentakis(μ~2~-oxido)decaoxidobis(μ~5~-phosphato)pentamolybdenum(VI)] henicosahydrate
• Authors of publication: Bih, Hssain; Bih, Lahcen; Manoun, Bouchaid; Azrour, Mohamed; Lazor, Peter; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: i20 - i21
• a: 9.2299 ± 0.0003 Å
• b: 18.3516 ± 0.0006 Å
• c: 19.7918 ± 0.0006 Å
• α: 73.86 ± 0.001°
• β: 85.323 ± 0.003°
• γ: 75.772 ± 0.002°
• Cell volume: 3121.17 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes