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Information card for entry 2240359
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| Coordinates | 2240359.cif |
|---|---|
| Structure factors | 2240359.hkl |
| Original paper (by DOI) | HTML |
| Common name | Bis adeninium hexafluorosilicate(VI) hydrate |
|---|---|
| Chemical name | Bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
| Formula | C10 H16 F6 N10 O2 Si |
| Calculated formula | C10 H16 F6 N10 O2 Si |
| SMILES | c1[nH]c(c2c(n1)[nH+]cn2)N.O.[Si](F)(F)(F)(F)([F-])[F-].c1[nH]c(c2c(n1)[nH+]cn2)N.O |
| Title of publication | Crystal structure of bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
| Authors of publication | Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Chtoun, El Hossain |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o72 - o73 |
| a | 5.75 ± 0.0007 Å |
| b | 7.8504 ± 0.0003 Å |
| c | 10.0884 ± 0.0006 Å |
| α | 79.141 ± 0.006° |
| β | 84.534 ± 0.017° |
| γ | 71.774 ± 0.009° |
| Cell volume | 424.47 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240359.cif 2240359.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240359.cif 2240359.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240359.cif 2240359.hkl |
| 129351 | 2015-01-04 | cif/ hkl/ Adding structures of 2240359 via cif-deposit CGI script. |
2240359.cif 2240359.hkl |
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Users of the data should acknowledge the original authors of the
structural data.