Information card for entry 4315376

Structure parameters

• Formula: C36 H60 N O5 Re
• Calculated formula: C36 H60 N O5 Re
• Title of publication: Deoxygenation of Nitroxyl Radicals by Oxorhenium(V) Complexes with Redox-Active Ligands
• Authors of publication: Cameron A. Lippert; Jake D. Soper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3682 - 3684
• a: 11.6064 ± 0.0008 Å
• b: 30.002 ± 0.002 Å
• c: 10.6924 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No