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Information card for entry 2020996
Preview
| Coordinates | 2020996.cif |
|---|---|
| Structure factors | 2020996.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis[μ~2~-2,7-bis(pyridine-4-ylmethyl)benzo[<i>imn</i>][3,8]phenanthroline-1,3,6,8(2<i>H</i>,7<i>H</i>)-tetrone]bis(perchlorato)cadmium(II)] chloroform tetrasolvate] |
|---|---|
| Formula | C56 H36 Cd Cl14 N8 O16 |
| Calculated formula | C56 H36 Cd Cl14 N8 O16 |
| Title of publication | A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties |
| Authors of publication | Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 94 - 99 |
| a | 13.8485 ± 0.0007 Å |
| b | 15.0536 ± 0.0006 Å |
| c | 16.6819 ± 0.0009 Å |
| α | 90° |
| β | 109.395 ± 0.006° |
| γ | 90° |
| Cell volume | 3280.3 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205713 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2020996 via cif-deposit CGI script. |
2020996.cif 2020996.hkl |
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Users of the data should acknowledge the original authors of the
structural data.