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Information card for entry 2239121
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| Coordinates | 2239121.cif |
|---|---|
| Structure factors | 2239121.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Hexane-1,6-diammonium hexafluorosilicate |
|---|---|
| Formula | C6 H18 F6 N2 Si |
| Calculated formula | C6 H18 F6 N2 Si |
| Title of publication | Hexane-1,6-diammonium hexafluorosilicate |
| Authors of publication | Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o92 - o93 |
| a | 5.8965 ± 0.0002 Å |
| b | 13.6946 ± 0.0005 Å |
| c | 14.4945 ± 0.0005 Å |
| α | 91.379 ± 0.002° |
| β | 92.797 ± 0.002° |
| γ | 90.906 ± 0.002° |
| Cell volume | 1168.53 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0682 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239121.cif 2239121.hkl |
| 181891 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239121.cif 2239121.hkl |
| 181310 | 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 2/23/91. |
2239121.cif 2239121.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. |
2239121.cif 2239121.hkl |
| 105010 | 2014-03-11 | cif/ hkl/ Adding structures of 2239121 via cif-deposit CGI script. |
2239121.cif 2239121.hkl |
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Users of the data should acknowledge the original authors of the
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