Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7019056
Preview
| Coordinates | 7019056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 Cl4 I N2 |
|---|---|
| Calculated formula | C19 H13 Cl4 I N2 |
| SMILES | [I-].Clc1c(Cl)c(Cl)c(Cl)c2[n+](cn(c12)Cc1ccc2c(cccc2)c1)C |
| Title of publication | Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria. |
| Authors of publication | Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 21 |
| Pages of publication | 6500 - 6506 |
| a | 24.5 ± 0.003 Å |
| b | 12.9443 ± 0.0012 Å |
| c | 14.1288 ± 0.0013 Å |
| α | 90° |
| β | 117.003 ± 0.002° |
| γ | 90° |
| Cell volume | 3992.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179894 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/90. |
7019056.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019056.cif |
| 60428 | 2012-06-14 | cif/ Adding structures of 7019054, 7019055, 7019056, 7019057, 7019058, 7019059, 7019060 via cif-deposit CGI script. |
7019056.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.