Information card for entry 4348763

Structure parameters

• Formula: C42 H36 F12 N12 O P2 Ru
• Calculated formula: C42 H36 F12 N12 O P2 Ru
• SMILES: [Ru]123([n]4c(c5cn(n[n]35)c3ccccc3)cccc4)([n]3nn(cc3c3[n]1cccc3)c1ccccc1)[n]1c(c3cn(n[n]23)c2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=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: 13.49919 ± 0.00012 Å
• b: 23.01855 ± 0.00018 Å
• c: 14.58644 ± 0.00011 Å
• α: 90°
• β: 97.098 ± 0.0008°
• γ: 90°
• Cell volume: 4497.73 ± 0.06 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 7
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No