Information card for entry 7041114

Structure parameters

• Formula: C43 H39 F6 N6 O7 P Ru S2
• Calculated formula: C43 H39 F6 N6 O7 P Ru S2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1c(c2cccc[n]32)cccc1)[N](=Cc1c(cccc1)[P]4(c1ccccc1)c1ccccc1)N(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O
• Title of publication: Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.
• Authors of publication: Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19127 - 19140
• a: 16.7005 ± 0.0019 Å
• b: 17.633 ± 0.002 Å
• c: 30.174 ± 0.004 Å
• α: 90°
• β: 100.816 ± 0.005°
• γ: 90°
• Cell volume: 8727.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No