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Information card for entry 2021842
Preview
| Coordinates | 2021842.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[copper(I)-di-μ-iodido-copper(I)-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)] 1,4-dioxane monosolvate] |
|---|---|
| Formula | C38 H34 Cu2 I2 N10 O4 |
| Calculated formula | C38 H34 Cu2 I2 N10 O4 |
| SMILES | c1cn2c[n]1[Cu]13([I][Cu]41([I]3)[n]1ccn(c1)Cc1ccc(cc1)c1nnc(c3cc[n](cc3)[Cu](I)[n]3ccn(c3)Cc3ccc(cc3)c3nnc(c5cc[n]4cc5)o3)o1)[n]1ccc(c3nnc(c4ccc(Cn5cc[n](c5)[Cu]([n]5ccc(c6nnc(c7ccc(C2)cc7)o6)cc5)I)cc4)o3)cc1.C1OCCOC1.C1OCCOC1 |
| Title of publication | Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties |
| Authors of publication | Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 9.6124 ± 0.0006 Å |
| b | 9.7864 ± 0.0008 Å |
| c | 12.7314 ± 0.001 Å |
| α | 96.787 ± 0.006° |
| β | 110.599 ± 0.006° |
| γ | 93.325 ± 0.006° |
| Cell volume | 1106.82 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.2149 |
| Weighted residual factors for all reflections included in the refinement | 0.2242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243812 (current) | 2019-11-28 | cif/ hkl/ Adding structures of 2021842, 2021843, 2021844 via cif-deposit CGI script. |
2021842.cif |
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