Information card for entry 4326469

Structure parameters

• Formula: C80 H100 N4 O6 Re2
• Calculated formula: C80 H100 N4 O6 Re2
• SMILES: c1(N2c3c(O[Re]452(N(c2ccccc2)c2c(O4)c(cc(c2)C(C)(C)C)C(C)(C)C)O[Re]24(N(c6ccccc6)c6cc(cc(c6O2)C(C)(C)C)C(C)(C)C)(N(c2ccccc2)c2c(O4)c(cc(c2)C(C)(C)C)C(C)(C)C)O5)c(C(C)(C)C)cc(c3)C(C)(C)C)ccccc1
• 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: 25.507 ± 0.008 Å
• b: 14.111 ± 0.004 Å
• c: 10.667 ± 0.003 Å
• α: 90°
• β: 102.387 ± 0.004°
• γ: 90°
• Cell volume: 3750 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No