Information card for entry 4106052

Structure parameters

• Formula: C35 H30 N2 O2 P2 S2 U
• Calculated formula: C35 H30 N2 O2 P2 S2 U
• SMILES: [U]12([S]=P(C2=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=O)(=O)([n]1ccccc1)[n]1ccccc1
• 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: 10.9372 ± 0.0007 Å
• b: 11.7627 ± 0.001 Å
• c: 13.7945 ± 0.0011 Å
• α: 81.539 ± 0.004°
• β: 88.54 ± 0.005°
• γ: 71.934 ± 0.005°
• Cell volume: 1668.4 ± 0.2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No