Information card for entry 1552191

Structure parameters

• Formula: C54 H147 N6 Na O10 Si11 U2
• Calculated formula: C54 H147 N6 Na O10 Si11 U2
• SMILES: C(C)(C)(C)O[Si](O[U]([NH][U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(OC(C)(C)C)OC(C)(C)C.[O]1(C)CC[O](C)[Na]231([O](C)CC[O]3C)[O](C)CC[O]2C
• 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: 15.1641 ± 0.0004 Å
• b: 15.315 ± 0.0004 Å
• c: 19.3228 ± 0.0006 Å
• α: 88.488 ± 0.002°
• β: 87.105 ± 0.002°
• γ: 82.328 ± 0.002°
• Cell volume: 4440.8 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No