Information card for entry 4348762

Structure parameters

• Formula: C49 H50 F12 N14 O P2 Ru
• Calculated formula: C49 H50 F12 N14 O P2 Ru
• SMILES: [Ru]123([n]4nn(c5ccccc5)cc4c4[n]3cccc4)([n]3c(c4[n]2nn(c2ccccc2)c4)cccc3)[n]2c(c3cccc[n]13)cn(c1ccccc1)n2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.O(C(C)C)C(C)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: 8.7481 ± 0.0007 Å
• b: 13.7918 ± 0.0013 Å
• c: 23.603 ± 0.002 Å
• α: 99.326 ± 0.004°
• β: 99.588 ± 0.004°
• γ: 100.262 ± 0.003°
• Cell volume: 2708.6 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No