Information card for entry 2222246

Structure parameters

• Chemical name: Tetraammonium dihydroxydiperoxooctamolybdate(VI) tetrahydrate
• Formula: H28 Mo8 N4 O34
• Calculated formula: H28 Mo8 N4 O34
• SMILES: [Mo]1234(OO1)(O[Mo]15(=O)(O[Mo]6([O]1[Mo]17(O2)([O]6[Mo]268([O]91[Mo]1(O6)(=O)(=O)O[Mo]6([O]1[Mo]9(O8)([O]36)(=O)[O]457)(=O)(=O)[OH2])(OO2)=O)=O)(=O)(=O)[OH2])=O)=O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Tetraammonium diaquadiperoxidooctamolybdate(VI) tetrahydrate
• Authors of publication: Ward, Antony J.; Arrow, Gregory J.; Maschmeyer, Thomas; Masters, Anthony F.; Turner, Peter; Clegg, Jack K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: i53 - i54
• a: 10.405 ± 0.003 Å
• b: 7.8706 ± 0.0019 Å
• c: 18.063 ± 0.004 Å
• α: 90°
• β: 96.991 ± 0.004°
• γ: 90°
• Cell volume: 1468.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes