Information card for entry 1552193

Structure parameters

• Formula: C36 H108 N6 O3 Si12 U3
• Calculated formula: C36 H108 N6 O3 Si12 U3
• 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: 12.4529 ± 0.0004 Å
• b: 21.71 ± 0.0006 Å
• c: 26.886 ± 0.0007 Å
• α: 83.801 ± 0.002°
• β: 78.048 ± 0.003°
• γ: 78.888 ± 0.003°
• Cell volume: 6960.2 ± 0.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No