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Information card for entry 2236592
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| Coordinates | 2236592.cif |
|---|---|
| Structure factors | 2236592.hkl |
| Original IUCr paper | HTML |
| Chemical name | Titanium(II) thiogermanate(IV) |
|---|---|
| Formula | Ge S3 Ti |
| Calculated formula | Ge S3 Ti |
| SMILES | [Ge]1[S]2[Ti]345(S1)S[Ti]1([S]36)[S]3[Ge](S1)[S]1[Ti]367([S]4[Ti]3([S]5[Ge]2S3)S7)S[Ge]1 |
| Title of publication | TiGeS~3~ |
| Authors of publication | Kim, Pilsoo; Yun, Hoseop |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | i72 |
| a | 8.9263 ± 0.0008 Å |
| b | 3.4673 ± 0.0003 Å |
| c | 13.2596 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 410.39 ± 0.07 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236592.cif 2236592.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. |
2236592.cif 2236592.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236592.cif 2236592.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. | 2236592.cif 2236592.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236592.cif 2236592.hkl |
| 70172 | 2012-12-21 | cif/ Adding structures of 2236592 via cif-deposit CGI script. |
2236592.cif |
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Users of the data should acknowledge the original authors of the
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