Information card for entry 7106728

Structure parameters

• Formula: C32.5 H78 N6 Na O7 Si6 U
• Calculated formula: C32.5 H78 N6 Na O7 Si6 U
• SMILES: CCCCC.[U]12(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C(=C)O1)(C)C)(N([Si](C)(C(=C)O2)C)[Si](C)(C)C)N=N#N.C1[O]2[Na]345[O](CC[O]5CC[O]4CC[O]3CC2)C1
• Title of publication: Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors
• Authors of publication: Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9057
• a: 15.2539 ± 0.0003 Å
• b: 18.705 ± 0.0009 Å
• c: 39.6518 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11313.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No