Information card for entry 4102131

Structure parameters

• Common name: (Et3NH)[ReV(O)(PPh3)(ox)2]1.5EtOH
• Formula: C31 H40 N O10.5 P Re
• Calculated formula: C31 H40 N O10.5 P Re
• Title of publication: Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers
• Authors of publication: Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3879 - 3892
• a: 9.694 ± 0.005 Å
• b: 13.247 ± 0.006 Å
• c: 13.861 ± 0.007 Å
• α: 90.283 ± 0.008°
• β: 97.568 ± 0.007°
• γ: 99.833 ± 0.008°
• Cell volume: 1737.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No