Information card for entry 4348761

Structure parameters

• Formula: C46 H42 F12 N14 P2 Ru
• Calculated formula: C46 H42 F12 N14 P2 Ru
• SMILES: [Ru]123([n]4nn(cc4c4[n]1cccc4)Cc1ccccc1)([n]1nn(cc1c1[n]2cccc1)Cc1ccccc1)[n]1nn(Cc2ccccc2)cc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• 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: 12.0954 ± 0.0004 Å
• b: 14.0009 ± 0.0005 Å
• c: 15.6536 ± 0.0005 Å
• α: 91.733 ± 0.002°
• β: 108.905 ± 0.001°
• γ: 100.943 ± 0.001°
• Cell volume: 2450.24 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0332
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No