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Information card for entry 1543659
Preview
| Coordinates | 1543659.cif |
|---|---|
| Structure factors | 1543659.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)] |
|---|---|
| Formula | C66 H44 Cd2 N10 O15 |
| Calculated formula | C66 H44 Cd2 N10 O15 |
| Title of publication | Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)] |
| Authors of publication | Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161092 |
| a | 27.471 ± 0.003 Å |
| b | 7.423 ± 0.0006 Å |
| c | 31.425 ± 0.003 Å |
| α | 90° |
| β | 108.428 ± 0.003° |
| γ | 90° |
| Cell volume | 6079.5 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184426 (current) | 2016-07-13 | cif/ hkl/ Adding structures of 1543659 via cif-deposit CGI script. |
1543659.cif 1543659.hkl |
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Users of the data should acknowledge the original authors of the
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