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Information card for entry 2019983
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| Coordinates | 2019983.cif |
|---|---|
| Structure factors | 2019983.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua(μ~5~-1,1'-biphenyl-2,2',5,5'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dicadmium(II)] dihydrate] |
|---|---|
| Formula | C40 H32 Cd2 N8 O11 |
| Calculated formula | C40 H32 Cd2 N8 O11 |
| Title of publication | A three-dimensional Cd^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',5,5'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands |
| Authors of publication | Su, Feng; Lu, Li-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 13.8742 ± 0.0005 Å |
| b | 16.5419 ± 0.0006 Å |
| c | 18.5356 ± 0.0009 Å |
| α | 90° |
| β | 110.547 ± 0.001° |
| γ | 90° |
| Cell volume | 3983.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019983.cif 2019983.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. |
2019983.cif 2019983.hkl |
| 139187 | 2015-06-14 | cif/ hkl/ Adding structures of 2019983 via cif-deposit CGI script. |
2019983.cif 2019983.hkl |
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Users of the data should acknowledge the original authors of the
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