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Information card for entry 2020986
Preview
| Coordinates | 2020986.cif |
|---|---|
| Structure factors | 2020986.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(azido-κ<i>N</i>^1^)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) |
|---|---|
| Formula | C26 H30 N16 Zn |
| Calculated formula | C26 H30 N16 Zn |
| SMILES | [Zn]([n]1ccn(Cn2nnc3ccccc23)c1CCC)([n]1ccn(Cn2nnc3ccccc23)c1CCC)(N=N#N)N=N#N |
| Title of publication | Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses |
| Authors of publication | Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 13 - 20 |
| a | 7.087 ± 0.0003 Å |
| b | 13.7109 ± 0.0007 Å |
| c | 15.2483 ± 0.0008 Å |
| α | 84.36 ± 0.004° |
| β | 83.99 ± 0.004° |
| γ | 82.531 ± 0.004° |
| Cell volume | 1455.62 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205707 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2020985, 2020986 via cif-deposit CGI script. |
2020986.cif 2020986.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.