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Information card for entry 2238241
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| Coordinates | 2238241.cif |
|---|---|
| Structure factors | 2238241.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis{μ-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazidato}copper(II)] |
|---|---|
| Formula | C26 H20 Cu N6 O2 |
| Calculated formula | C26 H20 Cu N6 O2 |
| SMILES | C(c1ccncc1)=[N]1[Cu]2([N](=Cc3ccncc3)N=C(c3ccccc3)O2)OC(=N1)c1ccccc1 |
| Title of publication | Poly[bis{μ-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazidato}copper(II)] |
| Authors of publication | Wu, Qiong; Chen, Da-Chi; Wu, Chu-Yi; Yan, Chang-Xiu; Liao, Jian-Zhen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m383 |
| a | 12.288 ± 0.003 Å |
| b | 13.349 ± 0.003 Å |
| c | 14.244 ± 0.003 Å |
| α | 90° |
| β | 113.39 ± 0.03° |
| γ | 90° |
| Cell volume | 2144.5 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| 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 |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238241.cif 2238241.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. |
2238241.cif 2238241.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. |
2238241.cif 2238241.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238241.cif 2238241.hkl |
| 87496 | 2013-08-27 | cif/ Adding structures of 2238241 via cif-deposit CGI script. |
2238241.cif |
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Users of the data should acknowledge the original authors of the
structural data.