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Information card for entry 2019043
Preview
| Coordinates | 2019043.cif |
|---|---|
| Structure factors | 2019043.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate] |
|---|---|
| Formula | C32.5 H31.5 Cl3 Cu N11.5 O8 S2 |
| Calculated formula | C32.5 H31.5 Cl3 Cu N11.5 O8 S2 |
| Title of publication | Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione |
| Authors of publication | Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 716 - 720 |
| a | 12.012 ± 0.006 Å |
| b | 13.225 ± 0.007 Å |
| c | 14.402 ± 0.007 Å |
| α | 99.751 ± 0.007° |
| β | 110.223 ± 0.007° |
| γ | 106.204 ± 0.007° |
| Cell volume | 1969.8 ± 1.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019043.cif 2019043.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. |
2019043.cif 2019043.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. |
2019043.cif 2019043.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019043.cif 2019043.hkl |
| 87455 | 2013-08-27 | cif/ Adding structures of 2019042, 2019043 via cif-deposit CGI script. |
2019043.cif |
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Users of the data should acknowledge the original authors of the
structural data.