Information card for entry 7132504

Structure parameters

• Chemical name: [Ru2(trop2dae)(trop2dad)]x3(THF)
• Formula: C76 H76 N4 O3 Ru2
• Calculated formula: C76 H76 N4 O3 Ru2
• Title of publication: Selective dehydrogenation of ammonia borane to polycondensated BN rings catalysed by ruthenium olefin complexes.
• Authors of publication: Himmelbauer, Daniel; Müller, Fabian; Schweinzer, Clara; Casas, Fernando; Pribanic, Bruno; Le Corre, Grégoire; Thöny, Debora; Trincado, Monica; Grützmacher, Hansjörg
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 885 - 888
• a: 10.4746 ± 0.0001 Å
• b: 23.45 ± 0.0002 Å
• c: 23.6481 ± 0.0002 Å
• α: 90°
• β: 91.91 ± 0.001°
• γ: 90°
• Cell volume: 5805.44 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No