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Information card for entry 2238447
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| Coordinates | 2238447.cif |
|---|---|
| Structure factors | 2238447.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate |
|---|---|
| Formula | C8 H26 N10 O9 S |
| Calculated formula | C8 H26 N10 O9 S |
| Title of publication | Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate |
| Authors of publication | Nimthong, Ruthairat; Chamchong, Siva; Pakawatchai, Chaveng; Mokhagul, Jedsada; Wattanakanjana, Yupa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1266 - o1267 |
| a | 10.6571 ± 0.0007 Å |
| b | 13.2482 ± 0.0009 Å |
| c | 15.0132 ± 0.001 Å |
| α | 100.843 ± 0.002° |
| β | 110.596 ± 0.002° |
| γ | 92.096 ± 0.002° |
| Cell volume | 1936.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.13 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 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 2/23/84. |
2238447.cif 2238447.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. |
2238447.cif 2238447.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238447.cif 2238447.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238447.cif 2238447.hkl |
| 88307 | 2013-09-04 | cif/ Adding structures of 2238447 via cif-deposit CGI script. |
2238447.cif |
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