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Information card for entry 1564089
Preview
| Coordinates | 1564089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H10 F8 N2 O2 |
|---|---|
| Calculated formula | C22 H10 F8 N2 O2 |
| SMILES | c1(c(c(c(c(c1O)F)F)c1c(c(c(c(c1F)F)O)F)F)F)F.c1c(ccc(c1)CC#N)CC#N |
| Title of publication | Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities |
| Authors of publication | Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 512 |
| Pages of publication | 119873 |
| a | 17.144 ± 0.004 Å |
| b | 6.2142 ± 0.0015 Å |
| c | 19.301 ± 0.005 Å |
| α | 90° |
| β | 101.726 ± 0.004° |
| γ | 90° |
| Cell volume | 2013.3 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.322 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267430 (current) | 2021-07-09 | cif/ Adding structures of 1564089 via cif-deposit CGI script. |
1564089.cif |
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Users of the data should acknowledge the original authors of the
structural data.