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Information card for entry 2230709
Preview
| Coordinates | 2230709.cif |
|---|---|
| Structure factors | 2230709.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(2,2'-dimethyl-4,4'-bi-1,3-thiazole- κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido] |
|---|---|
| Formula | C8 H8 Br2 Cd N2 S2 |
| Calculated formula | C8 H8 Br2 Cd N2 S2 |
| SMILES | [Cd]12([n]3c(C)scc3c3csc(C)[n]13)[Br][Cd]1([n]3c(C)scc3c3csc(C)[n]13)(Br)(Br)[Br]2 |
| Title of publication | <i>catena</i>-Poly[[(2,2'-dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido] |
| Authors of publication | Abedi, Anita; Rezaei, Forugh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m886 |
| a | 7.1936 ± 0.001 Å |
| b | 9.5775 ± 0.0011 Å |
| c | 10.4218 ± 0.0014 Å |
| α | 112.714 ± 0.009° |
| β | 104.149 ± 0.011° |
| γ | 92.68 ± 0.01° |
| Cell volume | 634.2 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0812 |
| Weighted residual factors for significantly intense reflections | 0.2145 |
| Weighted residual factors for all reflections included in the refinement | 0.232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181229 (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 2/23/07. |
2230709.cif 2230709.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230709.cif 2230709.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230709.cif 2230709.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. | 2230709.cif 2230709.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230709.cif 2230709.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230709.cif 2230709.hkl |
| 23024 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230709 via cif-deposit CGI script. |
2230709.cif |
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Users of the data should acknowledge the original authors of the
structural data.