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Information card for entry 2020004
Preview
| Coordinates | 2020004.cif |
|---|---|
| Structure factors | 2020004.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-<i>N</i>^4^,<i>N</i>^4'^-bis(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide]dicadmium(II)] dihydrate] |
|---|---|
| Formula | C32 H26 Cd N4 O8 |
| Calculated formula | C32 H26 Cd N4 O8 |
| Title of publication | Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net |
| Authors of publication | Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 636 - 642 |
| a | 27.0043 ± 0.001 Å |
| b | 7.9145 ± 0.0003 Å |
| c | 17.9803 ± 0.0006 Å |
| α | 90° |
| β | 129.491 ± 0.002° |
| γ | 90° |
| Cell volume | 2965.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0599 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020004.cif 2020004.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. |
2020004.cif 2020004.hkl |
| 139727 | 2015-06-28 | cif/ hkl/ Adding structures of 2020003, 2020004 via cif-deposit CGI script. |
2020004.cif 2020004.hkl |
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Users of the data should acknowledge the original authors of the
structural data.