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Information card for entry 2238999
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| Coordinates | 2238999.cif |
|---|---|
| Structure factors | 2238999.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethylammonium dihydrogen orthophosphate |
|---|---|
| Formula | C4 H14 N O4 P |
| Calculated formula | C4 H14 N O4 P |
| SMILES | P(=O)([O-])(O)O.CC[NH2+]CC |
| Title of publication | Diethylammonium dihydrogen orthophosphate |
| Authors of publication | Held, Peter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o129 |
| a | 8.3643 ± 0.0006 Å |
| b | 8.8308 ± 0.0015 Å |
| c | 11.6446 ± 0.0012 Å |
| α | 88.219 ± 0.01° |
| β | 83.649 ± 0.007° |
| γ | 79.7 ± 0.007° |
| Cell volume | 841 ± 0.18 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238999.cif 2238999.hkl |
| 181308 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89. |
2238999.cif 2238999.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238999.cif 2238999.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238999.cif 2238999.hkl |
| 104831 | 2014-03-11 | cif/ hkl/ Adding structures of 2238999 via cif-deposit CGI script. |
2238999.cif 2238999.hkl |
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Users of the data should acknowledge the original authors of the
structural data.