Information card for entry 4121682

Structure parameters

• Common name: G in manuscript
• Formula: C44 H64 N O2 P2 Ru
• Calculated formula: C44 H64 N O2 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: 11.2357 ± 0.0008 Å
• b: 13.8823 ± 0.0009 Å
• c: 14.553 ± 0.001 Å
• α: 99.648 ± 0.001°
• β: 106.075 ± 0.001°
• γ: 99.239 ± 0.001°
• Cell volume: 2098.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No