Information card for entry 7119587

Structure parameters

• Chemical name: 6,6"-(2,4,6-trimethylphenylamino terpyridine)-triphenylphosphino-ruthenium dichloride
• Formula: C61 H58 Cl2 N5 P Ru
• Calculated formula: C61 H58 Cl2 N5 P Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(Nc4c(cc(cc4C)C)C)cccc3c3[n]1c(ccc3)c1[n]2c(Nc2c(cc(cc2C)C)C)ccc1.c1ccccc1.c1ccccc1
• Title of publication: Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates.
• Authors of publication: Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 2287 - 2289
• a: 20.7269 ± 0.0004 Å
• b: 21.437 ± 0.0005 Å
• c: 22.2463 ± 0.0004 Å
• α: 113.71 ± 0.002°
• β: 96.4927 ± 0.0017°
• γ: 113.636 ± 0.002°
• Cell volume: 7835.2 ± 0.4 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No