Information card for entry 7039546

Structure parameters

• Formula: C27 H31 Cl F6 N3 P Ru S
• Calculated formula: C27 H31 Cl F6 N3 P Ru S
• SMILES: [cH]12[cH]3[Ru]45671([cH]([cH]6[cH]25)[cH]37)([S](Cc1[n]4nn(c2c(cccc2C(C)C)C(C)C)c1)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.
• Authors of publication: Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11445 - 11458
• a: 9.624 ± 0.003 Å
• b: 19.312 ± 0.006 Å
• c: 16.689 ± 0.005 Å
• α: 90°
• β: 100.152 ± 0.005°
• γ: 90°
• Cell volume: 3053.2 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No