Information card for entry 7060099

Structure parameters

• Formula: C42 H38 F6 N2 P2 Ru S
• Calculated formula: C42 H38 F6 N2 P2 Ru S
• SMILES: [Ru]1234567([S](c8c([N]1=P(c1n2c2c(c1)cccc2)(c1ccccc1)c1ccccc1)cccc8)c1ccccc1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)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: 10.3583 ± 0.0004 Å
• b: 11.4739 ± 0.0004 Å
• c: 17.6428 ± 0.0006 Å
• α: 102.881 ± 0.003°
• β: 93.052 ± 0.003°
• γ: 111.451 ± 0.004°
• Cell volume: 1881.39 ± 0.13 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0465
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No