Information card for entry 4080918

Structure parameters

• Formula: C22 H21 Cl F6 N3 P Ru Se
• Calculated formula: C22 H21 Cl F6 N3 P Ru Se
• SMILES: c1cccc([Se]2[Ru]34567(Cl)([cH]8[cH]3[cH]5[cH]6[cH]7[cH]48)[n]3c(C2)cn(n3)Cc2ccccc2)c1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects
• Authors of publication: Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3595
• a: 11.52 ± 0.03 Å
• b: 19.65 ± 0.05 Å
• c: 22.37 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5064 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No