Information card for entry 7060101

Structure parameters

• Formula: C43 H40 Cl3 N2 P Ru Se
• Calculated formula: C43 H40 Cl3 N2 P 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.[Cl-].ClCCl
• 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: 12.1571 ± 0.0003 Å
• b: 16.3864 ± 0.0004 Å
• c: 20.0229 ± 0.0005 Å
• α: 90°
• β: 94.02 ± 0.002°
• γ: 90°
• Cell volume: 3978.97 ± 0.17 ų
• Cell temperature: 99.98 ± 0.12 K
• Ambient diffraction temperature: 99.98 ± 0.12 K
• Number of distinct elements: 7
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No