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Information card for entry 1552533
Preview
| Coordinates | 1552533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H76 F24 N14 P4 Ru2 |
|---|---|
| Calculated formula | C88 H76 F24 N14 P4 Ru2 |
| SMILES | [Ru]123([n]4cccc5c4c4[n]1cccc4c1nc4c(nc51)c1ccc[n]5[Ru]67([n]8c(c15)c4ccc8)([n]1cc(c(c4c1c1[n]6cc(c(c1cc4)C)C)C)C)[n]1cc(c(c4c1c1[n]7cc(c(c1cc4)C)C)C)C)([n]1cc(c(c4c1c1[n]2cc(c(c1cc4)C)C)C)C)[n]1cc(c(c2c1c1[n]3cc(c(c1cc2)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>. |
| Authors of publication | Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 70 - 79 |
| a | 13.885 ± 0.002 Å |
| b | 17.841 ± 0.003 Å |
| c | 22.499 ± 0.004 Å |
| α | 83.99 ± 0.002° |
| β | 73.932 ± 0.002° |
| γ | 85.868 ± 0.002° |
| Cell volume | 5320.9 ± 1.5 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1711 |
| Residual factor for significantly intense reflections | 0.091 |
| Weighted residual factors for significantly intense reflections | 0.2262 |
| Weighted residual factors for all reflections included in the refinement | 0.2806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248868 (current) | 2020-03-05 | cif/ Updating files of 1552533 Original log message: Adding full bibliography for 1552533.cif. |
1552533.cif |
| 247631 | 2020-02-04 | cif/ Updating files of 1552533 Original log message: Adding full bibliography for 1552533.cif. |
1552533.cif |
| 220522 | 2019-10-30 | cif/ Adding structures of 1552533 via cif-deposit CGI script. |
1552533.cif |
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