Information card for entry 2205202

Structure parameters

• Chemical name: diammonium zinc(II) dihydrogendiphosphate dihydrate
• Formula: H16 N2 O16 P4 Zn
• Calculated formula: H16 N2 O16 P4 Zn
• SMILES: [Zn]12(OP(=O)(O)OP(=O)(O1)O)(OP(=O)(O)OP(=O)(O2)O)([OH2])[OH2].[NH4+].[NH4+]
• Title of publication: Synthesis, crystal structure and vibrational spectra of a new diammonium zinc(II) dihydrogendiphosphate dihydrate, (NH~4~)~2~Zn(H~2~P~2~O~7~)~2~·2H~2~O
• Authors of publication: Essehli, Rachid; Lachkar, Mohammed; Svoboda, Ingrid; Fuess, Hartmut; El Bali, Brahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: i32 - i34
• a: 7.0074 ± 0.0009 Å
• b: 7.339 ± 0.001 Å
• c: 7.796 ± 0.001 Å
• α: 81.24 ± 0.001°
• β: 71.08 ± 0.001°
• γ: 88.15 ± 0.001°
• Cell volume: 374.78 ± 0.09 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes