Information card for entry 1552189

Structure parameters

• Formula: C52 H144 N8 Si12 U2
• Calculated formula: C52 H144 N8 Si12 U2
• 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: 27.5312 ± 0.0006 Å
• b: 21.7757 ± 0.0006 Å
• c: 43.5129 ± 0.0011 Å
• α: 90°
• β: 107.785 ± 0.003°
• γ: 90°
• Cell volume: 24839.8 ± 1.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No