Information card for entry 4133757

Structure parameters

• Formula: C34 H62 Cl4 N4 O4 P4 Re2
• Calculated formula: C34 H62 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: 19.8067 ± 0.0004 Å
• b: 10.1615 ± 0.0002 Å
• c: 22.612 ± 0.0005 Å
• α: 90°
• β: 99.1846 ± 0.0009°
• γ: 90°
• Cell volume: 4492.67 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No