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Information card for entry 2241475
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| Coordinates | 2241475.cif |
|---|---|
| Structure factors | 2241475.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[1,3-benzothiazol-3-ium [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]] |
|---|---|
| Formula | C14 H12 Cl6 N2 O S2 Sb2 |
| Calculated formula | C14 H12 Cl6 N2 O S2 Sb2 |
| SMILES | s1c[nH+]c2c1cccc2.s1c[nH+]c2c1cccc2.[Sb]12(Cl)(Cl)[Cl][Sb](Cl)(Cl)(O1)[Cl]2 |
| Title of publication | <i>catena</i>-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]] |
| Authors of publication | Chebout, Oussama; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Boudaren, Chaouki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 212 - 214 |
| a | 10.2826 ± 0.0002 Å |
| b | 16.2448 ± 0.0003 Å |
| c | 14.9849 ± 0.0003 Å |
| α | 90° |
| β | 111.674 ± 0.001° |
| γ | 90° |
| Cell volume | 2326.09 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0284 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241475.cif 2241475.hkl |
| 174631 | 2016-01-21 | cif/ hkl/ Adding structures of 2241475 via cif-deposit CGI script. |
2241475.cif 2241475.hkl |
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Users of the data should acknowledge the original authors of the
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