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Information card for entry 2237600
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| Coordinates | 2237600.cif |
|---|---|
| Structure factors | 2237600.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] |
|---|---|
| Formula | C10 H6 Cd Cl2 N6 S2 |
| Calculated formula | C10 H6 Cd Cl2 N6 S2 |
| SMILES | [Cd]1([n]2cc(Cl)ncc2)([n]2cc(Cl)ncc2)(SC#[N][Cd](SC#[N]1)([n]1cc(Cl)ncc1)[n]1cc(Cl)ncc1)(N=C=S)SC#[N] |
| Title of publication | <i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] |
| Authors of publication | Wöhlert, Susanne; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m195 |
| a | 5.7151 ± 0.0006 Å |
| b | 6.7625 ± 0.0008 Å |
| c | 11.2915 ± 0.0013 Å |
| α | 76.895 ± 0.009° |
| β | 82.639 ± 0.009° |
| γ | 73.068 ± 0.008° |
| Cell volume | 405.7 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0315 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (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 2/23/76. |
2237600.cif 2237600.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. |
2237600.cif 2237600.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237600.cif 2237600.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237600.cif 2237600.hkl |
| 85331 | 2013-05-07 | cif/ Adding structures of 2237600 via cif-deposit CGI script. |
2237600.cif |
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Users of the data should acknowledge the original authors of the
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