Information card for entry 1552533

Structure parameters

• 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 ų
• 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