Information card for entry 4507138

Structure parameters

• Common name: p-CymeneRu(2,6-Me2NacNac)OTf
• Formula: C33 H40 Cl3 F3 N2 O3 Ru S
• Calculated formula: C33 H40 Cl3 F3 N2 O3 Ru S
• 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: 10.788 ± 0.002 Å
• b: 12.131 ± 0.005 Å
• c: 16.206 ± 0.005 Å
• α: 89.72 ± 0.02°
• β: 71.49 ± 0.03°
• γ: 64.83 ± 0.02°
• Cell volume: 1799.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No