Information card for entry 4348764

Structure parameters

• Formula: C39 H54 F12 N12 P2 Ru
• Calculated formula: C39 H54 F12 N12 P2 Ru
• SMILES: [Ru]123([n]4c(cccc4)c4[n]2nn(c4)CCCCCC)([n]2ccccc2c2[n]1nn(CCCCCC)c2)[n]1c(c2[n]3nn(CCCCCC)c2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.256 ± 0.005 Å
• b: 24.61 ± 0.003 Å
• c: 17.351 ± 0.002 Å
• α: 90°
• β: 99.997 ± 0.005°
• γ: 90°
• Cell volume: 4733 ± 2 ų
• 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No