Information card for entry 4121678

Structure parameters

• Common name: B in manuscript
• Formula: C40 H56 Cl N O P2 Ru
• Calculated formula: C40 H56 Cl N O P2 Ru
• Title of publication: Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.
• Authors of publication: Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 16
• Pages of publication: 5923 - 5929
• a: 10.115 ± 0.0018 Å
• b: 11.94 ± 0.002 Å
• c: 17.117 ± 0.003 Å
• α: 87.852 ± 0.003°
• β: 76.963 ± 0.003°
• γ: 68.835 ± 0.002°
• Cell volume: 1875.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No