Information card for entry 7007296

Structure parameters

• Formula: C35 H49 N7 S Si3 U
• Calculated formula: C35 H49 N7 S Si3 U
• SMILES: [U]123456(Sc7[n]6cccc7)N([Si]([N]65CC[N]4([Si](N2c2ccccc2)(C)C)CC[N]3([Si](N1c1ccccc1)(C)C)CC6)(C)C)c1ccccc1
• 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: 14.213 ± 0.003 Å
• b: 17.6693 ± 0.0017 Å
• c: 15.321 ± 0.003 Å
• α: 90°
• β: 94.273 ± 0.015°
• γ: 90°
• Cell volume: 3836.9 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No