Information card for entry 4106053

Structure parameters

• Formula: C37.5 H32.5 N2.5 O2 P2 S2 U
• Calculated formula: C38 H32.49 N2 O2 P2 S2 U
• Title of publication: Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds
• Authors of publication: Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6162 - 6165
• a: 11.0767 ± 0.0005 Å
• b: 11.4194 ± 0.0005 Å
• c: 16.1005 ± 0.0005 Å
• α: 98.465 ± 0.002°
• β: 104.272 ± 0.003°
• γ: 111.859 ± 0.002°
• Cell volume: 1765.94 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No