Information card for entry 4326400

Structure parameters

• Formula: C70 H94 N2 O4 Si2 U
• Calculated formula: C70 H94 N2 O4 Si2 U
• SMILES: c1c([N]2[U]3(O[Si](CC)(CC)CC)(OC(=CC=2c2ccccc2)c2ccccc2)([N](c2cc(cc(c2)C(C)(C)C)C(C)(C)C)=C(c2ccccc2)C=C(O3)c2ccccc2)O[Si](CC)(CC)CC)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Silylation of the Uranyl Ion Using B(C6F5)3-Activated Et3SiH
• Authors of publication: David D. Schnaars; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9642 - 9649
• a: 12.6522 ± 0.0008 Å
• b: 17.5193 ± 0.001 Å
• c: 15.3466 ± 0.0009 Å
• α: 90°
• β: 97.991 ± 0.002°
• γ: 90°
• Cell volume: 3368.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No