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Information card for entry 2238403
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| Coordinates | 2238403.cif |
|---|---|
| Structure factors | 2238403.hkl |
| Original IUCr paper | HTML |
| Common name | [EMIM]~2~P~2~Se~8~ |
|---|---|
| Chemical name | Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate |
| Formula | C12 H22 N4 P2 Se8 |
| Calculated formula | C12 H22 N4 P2 Se8 |
| SMILES | c1n(cc[n+]1C)CC.P1(=[Se])([Se][Se]P([Se][Se]1)(=[Se])[Se-])[Se-].c1n(cc[n+]1C)CC |
| Title of publication | Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate |
| Authors of publication | Cody, Jason A.; Alexander, Grant C. B.; Guillot-Deudon, Catherine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1359 - o1360 |
| a | 7.8885 ± 0.0004 Å |
| b | 9.3783 ± 0.0004 Å |
| c | 9.8039 ± 0.0005 Å |
| α | 110.39 ± 0.003° |
| β | 96.395 ± 0.004° |
| γ | 102.992 ± 0.005° |
| Cell volume | 648 ± 0.06 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2238403.cif 2238403.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. |
2238403.cif 2238403.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238403.cif 2238403.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238403.cif 2238403.hkl |
| 88249 | 2013-09-04 | cif/ Adding structures of 2238403 via cif-deposit CGI script. |
2238403.cif |
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Users of the data should acknowledge the original authors of the
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