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Information card for entry 7030283
Preview
| Coordinates | 7030283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H4 Ba2 F2 O6 S2 |
|---|---|
| Calculated formula | C2 H4 Ba2 F2 O6 S2 |
| SMILES | [F-].O=S(=O)(CCS(=O)(=O)[O-])[O-].[Ba+2].[F-].[Ba+2] |
| Title of publication | Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium. |
| Authors of publication | Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 40 |
| Pages of publication | 12630 - 12634 |
| a | 10.814 ± 0.003 Å |
| b | 6.6286 ± 0.0017 Å |
| c | 6.7946 ± 0.0017 Å |
| α | 90° |
| β | 106.293 ± 0.002° |
| γ | 90° |
| Cell volume | 467.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0233 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7030283.cif |
| 180008 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/02. |
7030283.cif |
| 111586 | 2014-04-25 | cif/ Adding structures of 7030283, 7030284 via cif-deposit CGI script. |
7030283.cif |
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Users of the data should acknowledge the original authors of the
structural data.