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Information card for entry 2019713
Preview
| Coordinates | 2019713.cif |
|---|---|
| Structure factors | 2019713.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)] |
|---|---|
| Formula | C22 H17 Cd N5 O6 |
| Calculated formula | C22 H17 Cd N5 O6 |
| Title of publication | A twofold interpenetrating three-dimensional Cd^II^ coordination framework: poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)] |
| Authors of publication | Li, Le; Tao, Jian-Qing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 11.8377 ± 0.0014 Å |
| b | 18.664 ± 0.002 Å |
| c | 9.8566 ± 0.0011 Å |
| α | 90° |
| β | 96.374 ± 0.002° |
| γ | 90° |
| Cell volume | 2164.2 ± 0.4 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019713.cif 2019713.hkl |
| 180865 | 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 2/01/97. |
2019713.cif 2019713.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. |
2019713.cif 2019713.hkl |
| 126565 | 2014-11-07 | cif/ hkl/ Adding structures of 2019713 via cif-deposit CGI script. |
2019713.cif 2019713.hkl |
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