Information card for entry 2220420

Structure parameters

• Chemical name: Dicaesium magnesium bis(dihydrogen phosphate) dihydrate
• Formula: Cs2 H8 Mg O16 P4
• Calculated formula: Cs2 H8 Mg O16 P4
• SMILES: O=P1(O[Mg]2(OP(=O)(O1)O)([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.[Cs+].[Cs+]
• Title of publication: Dicaesium magnesium bis(dihydrogen phosphate(V)) dihydrate
• Authors of publication: Essehli, Rachid; El Bali, Brahim; Lachkar, Mohammed; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: i3
• a: 7.0935 ± 0.0015 Å
• b: 7.4606 ± 0.0015 Å
• c: 8.023 ± 0.0015 Å
• α: 83.776 ± 0.016°
• β: 68.558 ± 0.015°
• γ: 87.85 ± 0.017°
• Cell volume: 392.87 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes