Information card for entry 4119322

Structure parameters

• Formula: C18 H46 Cl4 N4 U
• Calculated formula: C18 H46 Cl4 N4 U
• SMILES: C(C)[N+](CC)(CC)CC.[U](Cl)(=NC)(=NC)(Cl)(Cl)Cl.C(C)[N+](CC)(CC)CC
• Title of publication: Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy
• Authors of publication: Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2279 - 2290
• a: 7.2206 ± 0.0008 Å
• b: 17.233 ± 0.002 Å
• c: 10.766 ± 0.0012 Å
• α: 90°
• β: 103.817 ± 0.001°
• γ: 90°
• Cell volume: 1300.9 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 2.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No