Information card for entry 4101342

Structure parameters

• Formula: C44 H48 I2 N2 O2 P2 U
• Calculated formula: C44 H48 I2 N2 O2 P2 U
• SMILES: [U](I)(I)(=NC(C)(C)C)(=NC(C)(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of the imido analogues of the uranyl ion.
• Authors of publication: Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10549 - 10559
• a: 11.7915 ± 0.0014 Å
• b: 20.984 ± 0.003 Å
• c: 18.416 ± 0.002 Å
• α: 90°
• β: 100.172 ± 0.002°
• γ: 90°
• Cell volume: 4485.2 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No