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Information card for entry 2019944
Preview
| Coordinates | 2019944.cif |
|---|---|
| Structure factors | 2019944.hkl |
| Original IUCr paper | HTML |
| Common name | <i>L</i>-Argininium phosphite |
|---|---|
| Chemical name | <i>L</i>-Argininium phosphite |
| Formula | C6 H17 N4 O5 P |
| Calculated formula | C6 H17 N4 O5 P |
| SMILES | C(=O)([C@H](CCCNC(=[NH2+])N)[NH3+])[O-].OP(=O)[O-] |
| Title of publication | <small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials |
| Authors of publication | Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 415 - 421 |
| a | 9.3993 ± 0.0003 Å |
| b | 4.8638 ± 0.00013 Å |
| c | 13.2395 ± 0.0004 Å |
| α | 90° |
| β | 105.249 ± 0.003° |
| γ | 90° |
| Cell volume | 583.95 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
2019944.cif 2019944.hkl |
| 136365 | 2015-05-13 | cif/ hkl/ Adding structures of 2019944, 2019945 via cif-deposit CGI script. |
2019944.cif 2019944.hkl |
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Users of the data should acknowledge the original authors of the
structural data.