Information card for entry 4121680

Structure parameters

• Common name: E in manuscript
• Formula: C40 H54 Cl N O P2 Ru
• Calculated formula: C40 H54 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: 9.3907 ± 0.0003 Å
• b: 12.8593 ± 0.0004 Å
• c: 16.0266 ± 0.0005 Å
• α: 91.686 ± 0.001°
• β: 105.557 ± 0.001°
• γ: 98.583 ± 0.001°
• Cell volume: 1838.65 ± 0.1 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: 0.0474
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No