Information card for entry 4326434

Structure parameters

• Formula: C32 H38 N2 U
• Calculated formula: C32 H38 N2 U
• SMILES: [U]123456789%10%11(N([C]8(=[C]9(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)([cH]1[cH]2[cH]%10[cH]%11[cH]31)[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 21.4969 ± 0.0008 Å
• b: 17.3612 ± 0.0005 Å
• c: 8.1284 ± 0.0003 Å
• α: 90°
• β: 98.258 ± 0.003°
• γ: 90°
• Cell volume: 3002.16 ± 0.18 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No