Information card for entry 7705170

Structure parameters

• Formula: C58 H45 Cl2 F6 Fe N2 O5 P4 Ru
• Calculated formula: C59 H48 Cl4 F6 Fe N3 O2 P3 Ru
• SMILES: [Ru]123([P]([c]45[Fe]6789%10%11%12([c]%13([P]1(c1ccccc1)c1ccccc1)[cH]8[cH]7[cH]9[cH]%10%13)[cH]([cH]6[cH]4%12)[cH]5%11)(c1ccccc1)c1ccccc1)([O]=C(O2)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)[n]1c(c2[n]3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.
• Authors of publication: Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12643 - 12652
• a: 13.9632 ± 0.0016 Å
• b: 14.6228 ± 0.0018 Å
• c: 16.5042 ± 0.0018 Å
• α: 70.695 ± 0.004°
• β: 77.328 ± 0.004°
• γ: 64.054 ± 0.004°
• Cell volume: 2848.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No