Information card for entry 1552190

Structure parameters

• Formula: C95 H208 N2 O24 Si6 U2
• Calculated formula: C95 H208 N2 O24 Si6 U2
• SMILES: C(C)(C)(C)O[Si](O[U]1([H][U](N1)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.c1(ccccc1)C
• Title of publication: Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
• Authors of publication: Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.74703 ± 0.00014 Å
• b: 32.4889 ± 0.0003 Å
• c: 27.4987 ± 0.0003 Å
• α: 90°
• β: 99.081 ± 0.001°
• γ: 90°
• Cell volume: 12127.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No