Information card for entry 4126242

Structure parameters

• Formula: C39 H46 F5 Mo N4 O1.5
• Calculated formula: C39 H46 F5 Mo N4 O1.5
• 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: 17.0362 ± 0.0015 Å
• b: 19.2201 ± 0.0017 Å
• c: 23.935 ± 0.002 Å
• α: 96.1815 ± 0.0015°
• β: 99.3959 ± 0.0015°
• γ: 90.7841 ± 0.0015°
• Cell volume: 7683.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No