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Information card for entry 7205740
Preview
| Coordinates | 7205740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H48 Cd2 N8 O14 S2 |
|---|---|
| Calculated formula | C36 H48 Cd2 N8 O14 S2 |
| SMILES | c1[n]2c(ccc1)NCc1cc(ccc1)CNc1[n](cccc1)[Cd]([n]1ccccc1NCc1cc(ccc1)CNc1[n]([Cd]2(OS(=O)(=O)[O-])([OH2])([OH2])[OH2])cccc1)(OS(=O)(=O)[O-])([OH2])([OH2])[OH2] |
| Title of publication | Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks |
| Authors of publication | Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4218 |
| a | 11.334 ± 0.002 Å |
| b | 9.0242 ± 0.0018 Å |
| c | 21.631 ± 0.004 Å |
| α | 90° |
| β | 95.38 ± 0.03° |
| γ | 90° |
| Cell volume | 2202.7 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180388 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/57. |
7205740.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205740.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205740.cif |
| 21000 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205740, 7205741, 7205742, 7205743, 7205744, 7205745, 7205746 via cif-deposit CGI script. |
7205740.cif |
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