Information card for entry 4348760

Structure parameters

• Formula: C44 H39 F12 N13 P2 Ru
• Calculated formula: C44 H39 F12 N13 P2 Ru
• SMILES: [Ru]123([n]4nn(cc4c4[n]1cccc4)Cc1ccccc1)([n]1c(c4[n]2cccc4)cn(n1)Cc1ccccc1)[n]1nn(cc1c1[n]3cccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)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: 15.3874 ± 0.0003 Å
• b: 13.2879 ± 0.0002 Å
• c: 22.5848 ± 0.0004 Å
• α: 90°
• β: 99.281 ± 0.002°
• γ: 90°
• Cell volume: 4557.38 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No