Information card for entry 4335290

Structure parameters

• Formula: C70 H111.33333 N2 O6.66667 U
• Calculated formula: C70 H115.333 N2 O6.66667 U
• SMILES: N1([U]2(N(c3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)C23CC4CC(CC(C2)C4)C3)(Oc2c(cc(cc12)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)C12CC3CC(CC(C1)C3)C2.C1CCCO1.C1CCCO1.CCCCC.C1CCCO1
• Title of publication: "Oxidative Addition" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes
• Authors of publication: Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7295 - 7304
• a: 14.6626 ± 0.0006 Å
• b: 16.6809 ± 0.0005 Å
• c: 22.7494 ± 0.0006 Å
• α: 70.95°
• β: 73.1°
• γ: 83.34°
• Cell volume: 5030.9 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No