Information card for entry 4126241

Structure parameters

• Formula: C32 H42.5 Br0.5 Cl0.5 Mo N4.5
• Calculated formula: C32 H42.5 Br0.5 Cl0.5 Mo N4.5
• 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: 25.126 ± 0.004 Å
• b: 18.28 ± 0.003 Å
• c: 15.476 ± 0.003 Å
• α: 90°
• β: 118.422 ± 0.004°
• γ: 90°
• Cell volume: 6251.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No