Information card for entry 4342823

Structure parameters

• Formula: C37 H38 F12 N10 O P2 Ru
• Calculated formula: C37 H38 F12 N10 O P2 Ru
• SMILES: [Ru]1234([N](Cc5[n]3cccc5)(Cc3[n]4cccc3)Cc3[n]1cccc3)[n]1nn(Cc3ccccc3)cc1c1[n]2nn(Cc2ccccc2)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
• 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: 13.782 ± 0.004 Å
• b: 17.532 ± 0.005 Å
• c: 33.9 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8191 ± 4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.1178
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No