Information card for entry 7060100

Structure parameters

• Formula: C42 H38 F6 N2 P2 Ru Se
• Calculated formula: C42 H38 F6 N2 P2 Ru Se
• SMILES: [Ru]1234567([Se](c8c([N]1=P(c1n2c2c(c1)cccc2)(c1ccccc1)c1ccccc1)cccc8)c1ccccc1)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands
• Authors of publication: Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20676 - 20687
• a: 10.3258 ± 0.0003 Å
• b: 11.4664 ± 0.0005 Å
• c: 17.7014 ± 0.0007 Å
• α: 102.299 ± 0.003°
• β: 92.894 ± 0.003°
• γ: 111.556 ± 0.004°
• Cell volume: 1885.31 ± 0.14 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No