Information card for entry 4107534

Structure parameters

• Formula: C55 H54 Cl2 I2 N2 O2 P2 U
• Calculated formula: C54 H52 I2 N2 O2 P2 U
• SMILES: c1(ccccc1)P(c1ccccc1)(=[O][U](I)(I)(=Nc1c(cc(cc1C)C)C)(=Nc1c(cc(cc1C)C)C)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Imido Exchange in Bis(imido) Uranium(VI) Complexes with Aryl Isocyanates
• Authors of publication: Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2930 - 2931
• a: 10.7202 ± 0.0019 Å
• b: 11.445 ± 0.002 Å
• c: 12.29 ± 0.002 Å
• α: 97.471 ± 0.002°
• β: 112.773 ± 0.002°
• γ: 101.48 ± 0.002°
• Cell volume: 1326.3 ± 0.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No