Information card for entry 4120700

Structure parameters

• Formula: C41 H79 N3 O2 Si6 U
• Calculated formula: C41 H79 N3 O2 Si6 U
• SMILES: [U](OC(c1ccccc1)(c1ccccc1)c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.CCOCC
• Title of publication: Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 96 - 99
• a: 11.7031 ± 0.0004 Å
• b: 12.7108 ± 0.0004 Å
• c: 17.4991 ± 0.0007 Å
• α: 90.802 ± 0.002°
• β: 92.647 ± 0.002°
• γ: 96.274 ± 0.002°
• Cell volume: 2584.26 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1316
• 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