Information card for entry 4314641

Structure parameters

• Formula: C72 H80 N4 U
• Calculated formula: C72 H80 N4 U
• SMILES: [U]123456(N([C]73=[C]4(N1c1c(cccc1C(C)C)C(C)C)c1c3c7cccc3ccc1)c1c(cccc1C(C)C)C(C)C)N([C]15=[C]6(N2c2c(cccc2C(C)C)C(C)C)c2c3c1cccc3ccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Actinide Redox-Active Ligand Complexes: Reversible Intramolecular Electron-Transfer in U(dpp-BIAN)2/U(dpp-BIAN)2(THF)
• Authors of publication: Eric J. Schelter; Ruilian Wu; Brian L. Scott; Joe D. Thompson; Thibault Cantat; Kevin D. John; Enrique R. Batista; David E. Morris; Jaqueline L. Kiplinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 924 - 933
• a: 25.17 ± 0.004 Å
• b: 12.2836 ± 0.0019 Å
• c: 39.766 ± 0.006 Å
• α: 90°
• β: 103.867 ± 0.002°
• γ: 90°
• Cell volume: 11936 ± 3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• 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: 0.1456
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No