Information card for entry 4126056

Structure parameters

• Formula: C68 H51 B F24 Mo N2 O P2
• Calculated formula: C68 H51 B F24 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: 11.3495 ± 0.0008 Å
• b: 16.8735 ± 0.0013 Å
• c: 18.6417 ± 0.0014 Å
• α: 89.961 ± 0.004°
• β: 72.33 ± 0.003°
• γ: 74.987 ± 0.004°
• Cell volume: 3273.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No