Information card for entry 4507140

Structure parameters

• Common name: C6H6Ru(2,6-Me2NacnacPhOTf.2THF
• Formula: C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91
• Calculated formula: C29.909 H29 Cl0.091 F2.727 N2 O2.727 Ru S0.909
• Title of publication: Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes
• Authors of publication: Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2505
• a: 13.411 ± 0.0009 Å
• b: 14.9649 ± 0.001 Å
• c: 18.0317 ± 0.0012 Å
• α: 98.982 ± 0.006°
• β: 96.074 ± 0.005°
• γ: 108.632 ± 0.006°
• Cell volume: 3340 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No