Information card for entry 7007298

Structure parameters

• Formula: C62 H76 N6 O P Si3 U
• Calculated formula: C62 H76 N6 O P Si3 U
• SMILES: [U]12345(N([Si]([N]65CC[N]4([Si](N2c2ccccc2)(C)C)CC[N]3([Si](N1c1ccccc1)(C)C)CC6)(C)C)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.
• Authors of publication: Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3368 - 3374
• a: 12.2797 ± 0.0004 Å
• b: 17.8483 ± 0.0006 Å
• c: 27.1851 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5958.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No