Information card for entry 4326466

Structure parameters

• Formula: C40.65 H51.3 Cl3.3 N2 O2 Re
• Calculated formula: C40.65 H51.3 Cl3.3 N2 O2 Re
• Title of publication: Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes
• Authors of publication: Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9864 - 9878
• a: 10.5294 ± 0.0015 Å
• b: 40.534 ± 0.006 Å
• c: 10.4408 ± 0.0015 Å
• α: 90°
• β: 107.828 ± 0.002°
• γ: 90°
• Cell volume: 4242.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No