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Information card for entry 1520503
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| Coordinates | 1520503.cif |
|---|
| Formula | C14 H22 N2 O7 P2 |
|---|---|
| Calculated formula | C14 N2 O7 P2 |
| SMILES | P(=O)([O-])(O)OP(=O)([O-])O.[NH3+]c1c(cccc1)C.[NH3+]c1c(cccc1)C |
| Title of publication | Synthesis and crystal structure of (o-CH3C6H4NH3)2H2P2O7 |
| Authors of publication | S Akriche; M Rzaigui |
| Journal of publication | Solid State Sciences |
| Year of publication | 2000 |
| Journal volume | 2 |
| Pages of publication | 399 - 405 |
| a | 15.258 ± 0.003 Å |
| b | 19.696 ± 0.004 Å |
| c | 11.578 ± 0.005 Å |
| α | 90° |
| β | 89.93 ± 0.02° |
| γ | 90° |
| Cell volume | 3479.4 ± 1.8 Å3 |
| Ambient diffraction temperature | 298 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 | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| 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 |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520503.cif |
| 139040 | 2015-06-10 | cif/ Adding structures of 1520503 via cif-deposit CGI script. |
1520503.cif |
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Users of the data should acknowledge the original authors of the
structural data.