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Information card for entry 2100510
Preview
| Coordinates | 2100510.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C2 Ba F6 O6 S2 |
|---|---|
| Calculated formula | C2 Ba F6 O6 S2 |
| SMILES | [Ba+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F |
| Title of publication | Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data |
| Authors of publication | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 3 |
| Pages of publication | 467 - 473 |
| a | 21.7505 ± 0.001 Å |
| b | 4.90797 ± 0.00011 Å |
| c | 9.6949 ± 0.0003 Å |
| α | 90° |
| β | 100.379 ± 0.003° |
| γ | 90° |
| Cell volume | 1018.01 ± 0.06 Å3 |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210924 (current) | 2018-09-13 | cif/2/10/ Updating bibliography in entries 2100506-2100510, 2105717-2105721. Marking entries 2105717-2105721 as duplicates of entries 2100506-2100510. |
2100510.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2100510.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2100510.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100510.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2100510.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2100510.cif |
| 321 | 2008-03-30 | Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr. |
2100510.cif |
| 156 | 2008-02-24 | Depositing the processed CIF files from the Acta-Cryst-B-2006/ issues 3-6. |
2100510.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.