Information card for entry 4111040

Structure parameters

• Formula: C83 H86 F3 O11 P4 S U
• Calculated formula: C83 H86 F3 O11 P4 S U
• Title of publication: Anhydrous Photochemical Uranyl(VI) Reduction: Unprecedented Retention of Equatorial Coordination Accompanying Reversible Axial Oxo/Alkoxide Exchange
• Authors of publication: Shanmugaperumal Kannan; Anthony E. Vaughn; Eric M. Weis; Charles L. Barnes; Paul B. Duval
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14024 - 14025
• a: 18.7833 ± 0.0012 Å
• b: 18.7833 ± 0.0012 Å
• c: 25.861 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9124.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No