Information card for entry 7704000

Structure parameters

• Formula: C37 H32 F3 N2 O5 P Ru S
• Calculated formula: C37 H32 F3 N2 O5 P Ru S
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c(c7[n]1cccc7)cccc6)[c]1(C(=O)OCC)[cH]4[cH]3[cH]2[cH]51.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Novel "ruthenium cyclopentadienyl"-peptide conjugate complexes against human FGFR(+) breast cancer.
• Authors of publication: Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5974 - 5987
• a: 9.8575 ± 0.0005 Å
• b: 18.2757 ± 0.0008 Å
• c: 19.2762 ± 0.0009 Å
• α: 90°
• β: 96.23 ± 0.002°
• γ: 90°
• Cell volume: 3452.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No