Information card for entry 4126243

Structure parameters

• Formula: C53 H50 B F15 Mo N4 O
• Calculated formula: C53 H50 B F15 Mo N4 O
• Title of publication: Reduction of Dinitrogen to Ammonia Catalyzed by Molybdenum Diamido Complexes.
• Authors of publication: Wickramasinghe, Lasantha A.; Schrock, Richard R.; Müller, Peter; Ogawa, Takaya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.327 ± 0.002 Å
• b: 13.939 ± 0.002 Å
• c: 15.701 ± 0.002 Å
• α: 88.041 ± 0.002°
• β: 76.238 ± 0.002°
• γ: 61.528 ± 0.002°
• Cell volume: 2479.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No