Information card for entry 4342822

Structure parameters

• Formula: C40.5 H38 F12 N12 O0.25 P2 Ru
• Calculated formula: C40.5 H38 F12 N12 O0.25 P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[N]123Cc4cn(Cc5ccccc5)n[n]4[Ru]43([n]3c(C1)cn(n3)Cc1ccccc1)([n]1ccccc1c1cccc[n]41)[n]1c(C2)cn(Cc2ccccc2)n1.O(C)C
• Title of publication: Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.
• Authors of publication: Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4621 - 4635
• a: 13.842 ± 0.004 Å
• b: 13.903 ± 0.004 Å
• c: 23.006 ± 0.007 Å
• α: 88.429 ± 0.006°
• β: 85.538 ± 0.007°
• γ: 79.015 ± 0.006°
• Cell volume: 4333 ± 2 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: 0.0855
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No