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Information card for entry 2200398
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| Coordinates | 2200398.cif |
|---|---|
| Structure factors | 2200398.hkl |
| Original IUCr paper | HTML |
| Common name | ammonium zinc phosphate |
|---|---|
| Formula | H7 N O8 P2 Zn |
| Calculated formula | H7 N O8 P2 Zn |
| SMILES | [Zn]1(OP(=O)(O)O)(OP(=O)(O)O)OP(=O)(O)O[Zn]2(OP(=O)(O1)O)OP(O)(O)=[O][Zn]1(OP(=[O]2)(O)O)OP(=O)(O)O[Zn]OP(=O)(O1)O.[NH4+].[NH4+].[NH4+].[NH4+] |
| Title of publication | Ammonium zinc phosphate, (NH~4~)Zn(HPO~4~)(H~2~PO~4~) |
| Authors of publication | Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | i72 - i74 |
| a | 7.6801 ± 0.0019 Å |
| b | 13.235 ± 0.003 Å |
| c | 8.078 ± 0.0016 Å |
| α | 90° |
| β | 107.69 ± 0.016° |
| γ | 90° |
| Cell volume | 782.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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