Information card for entry 1518313

Structure parameters

• Formula: C72 H68 F24 N26 O2 P4 Ru2
• Calculated formula: C72 H68 F24 N26 O2 P4 Ru2
• SMILES: [Ru]12345[n]6ccccc6c6[n]1nn(c6)Cc1ccc(Cn6n[n]7[Ru]89([n]%10ccccc%10c7c6)([n]6ccccc6c6[n]8nn(c6)Cc6ccc(Cn7n[n]5c(c5[n]4cccc5)c7)cc6)[n]4ccccc4c4[n]9nn(c4)Cc4ccc(Cn5n[n]3c(c3[n]2cccc3)c5)cc4)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=CN(C)C.O=CN(C)C
• Title of publication: Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate "click" pyridyl-1,2,3-triazole ligand
• Authors of publication: Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 425
• Pages of publication: 1 - 6
• a: 24.007 ± 0.0011 Å
• b: 14.6606 ± 0.0012 Å
• c: 26.57 ± 0.0012 Å
• α: 90°
• β: 92.563 ± 0.004°
• γ: 90°
• Cell volume: 9342.1 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No