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Information card for entry 2019927
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| Coordinates | 2019927.cif |
|---|---|
| Structure factors | 2019927.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1) |
|---|---|
| Formula | C10 H14 N2 O8 P2 |
| Calculated formula | C10 H14 N2 O8 P2 |
| SMILES | P(=O)(O)(O)[O-].P(=O)(O)(O)O.[nH+]1ccccc1c1ncccc1 |
| Title of publication | A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1) |
| Authors of publication | Jagan, R.; Sathya, D.; Sivakumar, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| a | 17.3885 ± 0.0007 Å |
| b | 10.4019 ± 0.0005 Å |
| c | 8.3927 ± 0.0003 Å |
| α | 90° |
| β | 96.881 ± 0.003° |
| γ | 90° |
| Cell volume | 1507.08 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019927.cif 2019927.hkl |
| 180867 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/99. |
2019927.cif 2019927.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019927.cif 2019927.hkl |
| 135204 | 2015-04-10 | cif/ hkl/ Adding structures of 2019926, 2019927 via cif-deposit CGI script. |
2019927.cif 2019927.hkl |
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