Information card for entry 1540722

Structure parameters

• Formula: C42 H39 F6 N4 P3 Ru S
• Calculated formula: C42 H39 F6 N4 P3 Ru S
• SMILES: [Ru]123(Sc4[n]3cccn4)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.
• Authors of publication: de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 179 - 192
• a: 18.3794 ± 0.0011 Å
• b: 19.6522 ± 0.0012 Å
• c: 21.8753 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7901.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No