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Information card for entry 4030194
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| Coordinates | 4030194.cif |
|---|
| Formula | Br6 O S8 Ti4 |
|---|---|
| Calculated formula | Br6 O S8 Ti4 |
| SMILES | Br[Ti]12345[Br][Ti]6789(Br)[S]%10[Ti]%11%12(Br)([Br][Ti]%13%14(Br)([S]7[S]8%13)([S]3[S]4%14)[O]59%12)([S]1[S]2%11)[S]6%10 |
| Title of publication | Synthesis and crystal structure of Ti4O(S2)4Br6 |
| Authors of publication | Cotton, F. Albert; Kibala, Piotr A.; Sandor, Robert B. W. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1988 |
| Journal volume | 25 |
| Pages of publication | 631 - 636 |
| a | 9.207 ± 0.002 Å |
| b | 11.19 ± 0.004 Å |
| c | 18.952 ± 0.005 Å |
| α | 90° |
| β | 91.63 ± 0.02° |
| γ | 90° |
| Cell volume | 1951.8 ± 1 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178480 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/01. |
4030194.cif |
| 127569 | 2014-11-20 | cif/ Adding structures of 4030194 via cif-deposit CGI script. |
4030194.cif |
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Users of the data should acknowledge the original authors of the
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