Information card for entry 4335289

Structure parameters

• Formula: C44 H74 I2 N2 O4 U
• Calculated formula: C44 H74 I2 N2 O4 U
• SMILES: [U]12(I)(I)(Oc3c(N1C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(N2C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O]1CCCC1.O1CCCC1
• 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: 9.6672 ± 0.0005 Å
• b: 17.3698 ± 0.0012 Å
• c: 14.6146 ± 0.0008 Å
• α: 90°
• β: 91.36 ± 0.004°
• γ: 90°
• Cell volume: 2453.4 ± 0.3 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No