Information card for entry 4326435

Structure parameters

• Formula: C45 H59 I N4 U
• Calculated formula: C45 H59 I N4 U
• SMILES: [U]12(I)([N](=C(C(N1c1c(cc(cc1C)C)C)(C)C)C)c1c(cc(cc1C)C)C)N(C(=C(N2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis, Characterization, and Multielectron Reduction Chemistry of Uranium Supported by Redox-Active α-Diimine Ligands
• Authors of publication: Steven J. Kraft; Ursula J. Williams; Scott R. Daly; Eric J. Schelter; Stosh A. Kozimor; Kevin S. Boland; James M. Kikkawa; William P. Forrest; Christin N. Christensen; Daniel E. Schwarz; Phillip E. Fanwick; David L. Clark; Steve D. Conradson; Suzanne C. Bart
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9838 - 9848
• a: 13.4755 ± 0.0015 Å
• b: 11.0385 ± 0.0013 Å
• c: 28.42 ± 0.004 Å
• α: 90°
• β: 94.674 ± 0.009°
• γ: 90°
• Cell volume: 4213.4 ± 0.9 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.096
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No