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Information card for entry 1519016
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| Coordinates | 1519016.cif |
|---|
| Formula | C16 H26 N2 O7 P2 |
|---|---|
| Calculated formula | C16 H8 N2 O7 P2 |
| SMILES | P(=O)(OP(=O)(O)[O-])([O-])O.[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1 |
| Title of publication | Synthesis and crystal structure of bis (2-phenylethylammonium) dihydrogendimphosphate, [C6H5(CH2)2NH3]2H2P2O7 |
| Authors of publication | Hlel, F.; Smiri, L. |
| Journal of publication | Solid State Sciences |
| Year of publication | 1999 |
| Journal volume | 1 |
| Pages of publication | 321 - 329 |
| a | 19.006 ± 0.003 Å |
| b | 10.718 ± 0.002 Å |
| c | 10.996 ± 0.003 Å |
| α | 90° |
| β | 98.99 ± 0.02° |
| γ | 90° |
| Cell volume | 2212.4 ± 0.8 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.191 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519016.cif |
| 135236 | 2015-04-10 | cif/ Adding structures of 1519016 via cif-deposit CGI script. |
1519016.cif |
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Users of the data should acknowledge the original authors of the
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