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Information card for entry 7708556
Preview
| Coordinates | 7708556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 Ag Cl N2 |
|---|---|
| Calculated formula | C22 H26 Ag Cl N2 |
| SMILES | [Ag](Cl)=C1N(c2cc(C)c(C)cc2N1Cc1c(C)cc(C)cc1C)CC=C |
| Title of publication | Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes |
| Authors of publication | Üstün, Elvan; Şahin, Neslihan; Çelik, Cem; Tutar, Uğur; Özdemir, Namık; Gürbüz, Nevin; Özdemir, İsmail |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 11.3151 ± 0.0013 Å |
| b | 13.7666 ± 0.0011 Å |
| c | 13.7491 ± 0.0015 Å |
| α | 90° |
| β | 95.702 ± 0.009° |
| γ | 90° |
| Cell volume | 2131.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269957 (current) | 2021-10-15 | cif/ Adding structures of 7708556, 7708557, 7708558 via cif-deposit CGI script. |
7708556.cif |
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Users of the data should acknowledge the original authors of the
structural data.