Information card for entry 4125910

Structure parameters

• Formula: C44 H98 B2 F8 N4 O P4 Ru2
• Calculated formula: C44 H98 B2 F8 N4 O P4 Ru2
• Title of publication: Ammonia Synthesis from a Pincer Ruthenium Nitride via Metal-Ligand Cooperative Proton-Coupled Electron Transfer.
• Authors of publication: Lindley, Brian M.; Bruch, Quinton J.; White, Peter S.; Hasanayn, Faraj; Miller, Alexander J. M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 15
• Pages of publication: 5305 - 5308
• a: 28.0407 ± 0.0004 Å
• b: 14.5457 ± 0.0002 Å
• c: 14.2999 ± 0.0002 Å
• α: 90°
• β: 96.8021 ± 0.0009°
• γ: 90°
• Cell volume: 5791.47 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No