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Information card for entry 2018328
Preview
| Coordinates | 2018328.cif |
|---|---|
| Structure factors | 2018328.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Sulfoethylammonium hexafluoridoantimonate |
|---|---|
| Formula | C2 H8 F6 N O3 S Sb |
| Calculated formula | C2 H8 F6 N O3 S Sb |
| SMILES | [Sb](F)(F)(F)(F)([F-])F.S(=O)(=O)(O)CC[NH3+] |
| Title of publication | 2-Sulfoethylammonium hexafluoridoantimonate |
| Authors of publication | Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m400 - m402 |
| a | 9.9037 ± 0.0004 Å |
| b | 11.5575 ± 0.0004 Å |
| c | 16.727 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1914.61 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0243 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0421 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018328.cif 2018328.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018328.cif 2018328.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018328.cif 2018328.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018328.cif 2018328.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018328.cif 2018328.hkl |
| 31764 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018328 via cif-deposit CGI script. |
2018328.cif |
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