Information card for entry 7007297

Structure parameters

• Formula: C36 H53 N9 Si3 U
• Calculated formula: C36 H53 N9 Si3 U
• SMILES: [U]123456(N([Si]([N]75CC[N]3([Si](N1c1ccccc1)(C)C)CC[N]4([Si](N2c1ccccc1)(C)C)CC7)(C)C)c1ccccc1)NC(=C(C(=[NH]6)C)C#N)C
• 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: 11.1504 ± 0.0015 Å
• b: 11.274 ± 0.003 Å
• c: 19.834 ± 0.004 Å
• α: 77.114 ± 0.019°
• β: 83.551 ± 0.013°
• γ: 62.636 ± 0.015°
• Cell volume: 2158.4 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2408
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No