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Information card for entry 2018942
Preview
| Coordinates | 2018942.cif |
|---|---|
| Structure factors | 2018942.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ-3,4-dimethoxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>:<i>O</i>')bis[[4-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II)] heptahydrate |
|---|---|
| Formula | C60 H72 N6 O23 Zn2 |
| Calculated formula | C60 H72 N6 O23 Zn2 |
| Title of publication | Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine |
| Authors of publication | Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 471 - 475 |
| a | 25.1037 ± 0.0008 Å |
| b | 17.2675 ± 0.0008 Å |
| c | 14.9338 ± 0.0006 Å |
| α | 90° |
| β | 90.042 ± 0.002° |
| γ | 90° |
| Cell volume | 6473.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (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 2/01/89. |
2018942.cif 2018942.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018942.cif 2018942.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. |
2018942.cif 2018942.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018942.cif 2018942.hkl |
| 86472 | 2013-07-11 | cif/ Adding structures of 2018942, 2018943 via cif-deposit CGI script. |
2018942.cif |
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Users of the data should acknowledge the original authors of the
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