Information card for entry 1566577

Structure parameters

• Formula: C20 H46 Cl N2 P2 Re
• Calculated formula: C20 H46 Cl N2 P2 Re
• Title of publication: Facile conversion of ammonia to a nitride in a rhenium system that cleaves dinitrogen
• Authors of publication: Connor, Gannon P.; Delony, Daniel; Weber, Jeremy E.; Mercado, Brandon Q.; Curley, Julia B.; Schneider, Sven; Mayer, James M.; Holland, Patrick L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.5852 ± 0.0003 Å
• b: 23.581 ± 0.0007 Å
• c: 12.2292 ± 0.0004 Å
• α: 90°
• β: 92.515 ± 0.003°
• γ: 90°
• Cell volume: 2473.39 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No