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Information card for entry 4348760
Preview
| Coordinates | 4348760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H39 F12 N13 P2 Ru |
|---|---|
| Calculated formula | C44 H39 F12 N13 P2 Ru |
| SMILES | [Ru]123([n]4nn(cc4c4[n]1cccc4)Cc1ccccc1)([n]1c(c4[n]2cccc4)cn(n1)Cc1ccccc1)[n]1nn(cc1c1[n]3cccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C |
| Title of publication | Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole "Click" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA). |
| Authors of publication | Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 19 |
| Pages of publication | 9767 - 9777 |
| a | 15.3874 ± 0.0003 Å |
| b | 13.2879 ± 0.0002 Å |
| c | 22.5848 ± 0.0004 Å |
| α | 90° |
| β | 99.281 ± 0.002° |
| γ | 90° |
| Cell volume | 4557.38 ± 0.14 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0872 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348760.cif |
| 233319 | 2019-11-23 | cif/ Adding structures of 4348760, 4348761, 4348762, 4348763, 4348764, 4348765 via cif-deposit CGI script. |
4348760.cif |
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Users of the data should acknowledge the original authors of the
structural data.