Information card for entry 7045428

Structure parameters

• Formula: C60 H42 F24 N12 P4 Ru2
• Calculated formula: C60 H42 F24 N12 P4 Ru2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n]12[Ru]345([n]6c(cccc6c6[n]5cccc6)c5[n]4cccc5)[n]4c(c1c1[n]5[Ru]67([n]8c1cccc8)([n]1c(c5c2c2cccc[n]32)cccc1)[n]1c(cc(cc1c1[n]7cccc1)c1ccccc1)c1[n]6cccc1)cccc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stepwise synthesis, characterization, DNA binding properties and cytotoxicity of diruthenium oligopyridine compounds conjugated with peptides.
• Authors of publication: Ypsilantis, Konstantinos; Plakatouras, John C.; Manos, Manolis J.; Kourtellaris, Andreas; Markopoulos, Georgios; Kolettas, Evangelos; Garoufis, Achilleas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3549 - 3567
• a: 14.9492 ± 0.0014 Å
• b: 33.781 ± 0.003 Å
• c: 15.9327 ± 0.0011 Å
• α: 90°
• β: 97.18 ± 0.008°
• γ: 90°
• Cell volume: 7982.9 ± 1.2 ų
• Cell temperature: 100.3 ± 0.3 K
• Ambient diffraction temperature: 100.3 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No