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Information card for entry 2241193
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| Coordinates | 2241193.cif |
|---|---|
| Structure factors | 2241193.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(hydroxylammonium) orthophosphate |
|---|---|
| Formula | H12 N3 O7 P |
| Calculated formula | H12 N3 O7 P |
| SMILES | P(=O)([O-])([O-])[O-].O[NH3+].O[NH3+].O[NH3+] |
| Title of publication | Crystal structure of tris(hydroxylammonium) orthophosphate |
| Authors of publication | Leinemann, Malte; Jess, Inke; Boeckmann, Jan; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | i10 - i11 |
| a | 10.7072 ± 0.0009 Å |
| b | 10.7072 ± 0.0009 Å |
| c | 11.0283 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1094.94 ± 0.18 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241193.cif 2241193.hkl |
| 164400 | 2015-10-10 | cif/ hkl/ Adding structures of 2241193 via cif-deposit CGI script. |
2241193.cif 2241193.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.