Information card for entry 7036782

Structure parameters

• Formula: C22 H21 Cl F6 N3 P Ru S2
• Calculated formula: C22 H21 Cl F6 N3 P Ru S2
• SMILES: [Ru]123456([S](c7ccccc7)Cc7[n]1nn(c7)CSc1ccccc1)(Cl)[cH]1[cH]5[cH]3[cH]4[cH]2[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.
• Authors of publication: Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19141 - 19152
• a: 10.729 ± 0.003 Å
• b: 10.019 ± 0.003 Å
• c: 24.414 ± 0.007 Å
• α: 90°
• β: 96.518 ± 0.005°
• γ: 90°
• Cell volume: 2607.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No