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Information card for entry 2239406
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| Coordinates | 2239406.cif |
|---|---|
| Structure factors | 2239406.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate |
|---|---|
| Formula | C20 H26 Cl4 N8 O18 P6 |
| Calculated formula | C20 H26 Cl4 N8 O18 P6 |
| SMILES | OP1(=O)OP(=O)(OP(=O)(OP(=O)(O)OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-].Clc1ccc([nH+]c1)N.Clc1ccc([nH+]c1)N.c1(ccc(c[nH+]1)Cl)N.c1(ccc(c[nH+]1)Cl)N |
| Title of publication | Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate |
| Authors of publication | Hamdi, Ahmed; Khederi, Lamia; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o342 - o343 |
| a | 9.199 ± 0.003 Å |
| b | 9.304 ± 0.002 Å |
| c | 11.327 ± 0.003 Å |
| α | 74.98 ± 0.03° |
| β | 85.17 ± 0.02° |
| γ | 75.2 ± 0.02° |
| Cell volume | 905.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239406.cif 2239406.hkl |
| 181313 | 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 2/23/94. |
2239406.cif 2239406.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. |
2239406.cif 2239406.hkl |
| 110689 | 2014-04-19 | cif/ hkl/ Adding structures of 2239406 via cif-deposit CGI script. |
2239406.cif 2239406.hkl |
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