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Information card for entry 1519016
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1519016.html
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