Information card for entry 4133758

Structure parameters

• Formula: C37.5 H66 Cl4 N4 O4 P4 Re2
• Calculated formula: C37.5 H66 Cl4 N4 O4 P4 Re2
• Title of publication: Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.
• Authors of publication: Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 18.2061 ± 0.0003 Å
• b: 13.5815 ± 0.0002 Å
• c: 20.4559 ± 0.0004 Å
• α: 90°
• β: 104.838 ± 0.001°
• γ: 90°
• Cell volume: 4889.38 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0199
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No