Information card for entry 4086133

Structure parameters

• Formula: C40 H33 N O4 Ru
• Calculated formula: C40 H33 N O4 Ru
• Title of publication: Nitrogen-Based Ligands Accelerate Ammonia Borane Dehydrogenation with the Shvo Catalyst
• Authors of publication: Zhang, Xingyue; Lu, Zhiyao; Foellmer, Lena K.; Williams, Travis J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3732
• a: 37.751 ± 0.003 Å
• b: 10.6602 ± 0.0007 Å
• c: 17.1777 ± 0.0012 Å
• α: 90°
• β: 112.006 ± 0.001°
• γ: 90°
• Cell volume: 6409.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No