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Information card for entry 2239712
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| Coordinates | 2239712.cif |
|---|---|
| Structure factors | 2239712.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido] |
|---|---|
| Formula | C14 H10 Cl2 Mn N2 S2 |
| Calculated formula | C14 H10 Cl2 Mn N2 S2 |
| SMILES | [Mn]1([n]2c3ccccc3sc2)([n]2c3ccccc3sc2)[Cl][Mn]([Cl]1)([n]1c2ccccc2sc1)([n]1c2ccccc2sc1)(Cl)Cl |
| Title of publication | <i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido] |
| Authors of publication | Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m275 |
| a | 14.761 ± 0.006 Å |
| b | 14.761 ± 0.006 Å |
| c | 7.17 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1562.3 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 135 |
| Hermann-Mauguin space group symbol | P 42/m b c |
| Hall space group symbol | -P 4c 2ab |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239712.cif 2239712.hkl |
| 181316 | 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 2/23/97. |
2239712.cif 2239712.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. |
2239712.cif 2239712.hkl |
| 118149 | 2014-06-26 | cif/ hkl/ Adding structures of 2239712 via cif-deposit CGI script. |
2239712.cif 2239712.hkl |
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Users of the data should acknowledge the original authors of the
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