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Information card for entry 2237226
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| Coordinates | 2237226.cif |
|---|---|
| Structure factors | 2237226.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-<i>N</i>^1^,<i>N</i>^2^-Bis(pyridin-2-yl)hydrazine-1,2- dicarbothioamidato]bis[chloridocopper(II)] |
|---|---|
| Formula | C12 H10 Cl2 Cu2 N6 S2 |
| Calculated formula | C12 H10 Cl2 Cu2 N6 S2 |
| SMILES | c1[n]2[Cu]3(SC4Nc5cccc[n]5[Cu]5([N]=4[N]3=C(S5)Nc2ccc1)Cl)Cl |
| Title of publication | [μ-<i>N</i>^1^,<i>N</i>^2^-Bis(pyridin-2-yl)hydrazine-1,2-dicarbothioamidato]bis[chloridocopper(II)] |
| Authors of publication | Liu, Yang; Zhang, Bingguang; Deng, Kejian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m45 |
| a | 15.825 ± 0.003 Å |
| b | 7.619 ± 0.0013 Å |
| c | 15.082 ± 0.004 Å |
| α | 90° |
| β | 118.179 ± 0.002° |
| γ | 90° |
| Cell volume | 1602.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0265 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237226.cif 2237226.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. |
2237226.cif 2237226.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237226.cif 2237226.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. | 2237226.cif 2237226.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237226.cif 2237226.hkl |
| 73455 | 2013-02-20 | cif/ Adding structures of 2237226 via cif-deposit CGI script. |
2237226.cif |
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Users of the data should acknowledge the original authors of the
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