Information card for entry 7028965

Structure parameters

• Formula: C24 H24 F3 N7 O3 Ru S
• Calculated formula: C24 H24 F3 N7 O3 Ru S
• SMILES: [Ru]1(c2c(c3ccccc3)[n+](nn2c2c1cccc2)C)([N]#CC)([N]#CC)([N]#CC)[N]#CC.O=S(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.
• Authors of publication: Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4462 - 4473
• a: 7.83027 ± 0.00007 Å
• b: 11.5481 ± 0.0001 Å
• c: 15.7934 ± 0.0002 Å
• α: 106.771 ± 0.0009°
• β: 101.919 ± 0.0008°
• γ: 93.1348 ± 0.0008°
• Cell volume: 1327.9 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.035
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No