Information card for entry 4133541

Structure parameters

• Formula: C105 H114.5 B F24 N2 O0.25 U
• Calculated formula: C105 H114.5 B F23.9997 N2 O0.25 U
• Title of publication: Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.
• Authors of publication: Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17369 - 17373
• a: 14.7775 ± 0.0002 Å
• b: 16.4035 ± 0.0002 Å
• c: 41.8881 ± 0.0006 Å
• α: 90°
• β: 90.893 ± 0.001°
• γ: 90°
• Cell volume: 10152.6 ± 0.2 ų
• Cell temperature: 172.98 K
• Ambient diffraction temperature: 172.98 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No