Information card for entry 7715567

Structure parameters

• Formula: C36 H30 Cl0 F3 N2 O4 P Ru S
• Calculated formula: C36 H30 F3 N2 O4 P Ru S
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c(c7[n]1cccc7)cccc6)[cH]1[c]2([cH]3[cH]4[cH]51)C(=O)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer.
• Authors of publication: Franco Machado, João; Sá, Marco; Pires, Inês; da Silva, Miguel Tarita; Marques, Fernanda; Coelho, Jaime A. S.; Mendes, Filipa; Piedade, M Fátima M; Machuqueiro, Miguel; Jiménez, María Angeles; Garcia, Maria Helena; Correia, João D G; Morais, Tânia S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7682 - 7693
• a: 12.793 ± 0.002 Å
• b: 14.351 ± 0.002 Å
• c: 18.673 ± 0.003 Å
• α: 90°
• β: 105.872 ± 0.005°
• γ: 90°
• Cell volume: 3297.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No