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Information card for entry 7708558
Preview
| Coordinates | 7708558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 Ag Cl N2 |
|---|---|
| Calculated formula | C23 H28 Ag Cl N2 |
| SMILES | [Ag](Cl)=C1N(c2cc(C)c(C)cc2N1Cc1c(C)c(C)cc(C)c1C)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 | 10.1252 ± 0.0006 Å |
| b | 10.6418 ± 0.0006 Å |
| c | 11.6214 ± 0.0007 Å |
| α | 90.879 ± 0.005° |
| β | 104.275 ± 0.005° |
| γ | 115.012 ± 0.004° |
| Cell volume | 1089.49 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7708558.html
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Users of the data should acknowledge the original authors of the
structural data.