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Information card for entry 2240897
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| Coordinates | 2240897.cif |
|---|---|
| Structure factors | 2240897.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II) |
|---|---|
| Formula | C14 H24 Cl2 N4 Ni S2 |
| Calculated formula | C14 H24 Cl2 N4 Ni S2 |
| SMILES | C1(N(C)C(C)=C(C)N1C)=[S][Ni](Cl)([S]=C1N(C)C(C)=C(C)N1C)Cl |
| Title of publication | Crystal structure of dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II) |
| Authors of publication | Ahmida, Aziza; Flörke, Ulrich; Egold, Hans; Henkel, Gerald |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | m147 |
| a | 14.8539 ± 0.0017 Å |
| b | 8.5969 ± 0.001 Å |
| c | 16.4434 ± 0.0019 Å |
| α | 90° |
| β | 112.104 ± 0.002° |
| γ | 90° |
| Cell volume | 1945.5 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240897.cif 2240897.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240897.cif 2240897.hkl |
| 139973 | 2015-07-04 | cif/ hkl/ Adding structures of 2240897 via cif-deposit CGI script. |
2240897.cif 2240897.hkl |
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Users of the data should acknowledge the original authors of the
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