Information card for entry 4102132

Structure parameters

• Common name: (Et3NH)[ReV(O)(apPh)2]0.25MeOH
• Formula: C46.25 H67 N3 O3.25 Re
• Calculated formula: C46.25 H67 N3 O3.25 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: 13.6961 ± 0.0017 Å
• b: 23.198 ± 0.003 Å
• c: 15.4092 ± 0.0019 Å
• α: 90°
• β: 114.484 ± 0.002°
• γ: 90°
• Cell volume: 4455.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No