Information card for entry 4126057

Structure parameters

• Formula: C93 H69.5 B F28.5 Mo N2 O P2
• Calculated formula: C93 H69.5 B F28.5 Mo N2 O P2
• Title of publication: Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride.
• Authors of publication: Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 21
• Pages of publication: 7376 - 7387
• a: 12.7123 ± 0.0006 Å
• b: 17.4489 ± 0.0008 Å
• c: 21.6927 ± 0.0011 Å
• α: 68.854 ± 0.003°
• β: 82.049 ± 0.003°
• γ: 73.29 ± 0.003°
• Cell volume: 4295 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No