Information card for entry 4126051

Structure parameters

• Formula: C64 H92 Mo2 N4 O2 P4
• Calculated formula: C64 H92 Mo2 N4 O2 P4
• 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: 11.2757 ± 0.0006 Å
• b: 16.421 ± 0.0009 Å
• c: 17.3077 ± 0.001 Å
• α: 90°
• β: 99.103 ± 0.003°
• γ: 90°
• Cell volume: 3164.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No