Information card for entry 7102558

Structure parameters

• Formula: C15 H15 I2 N3 O2 U
• Calculated formula: C15 H15 I2 N3 O2 U
• SMILES: [U](I)(I)(=O)(=O)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis of the stable UO2I2, the last of the uranyl dihalides. X-ray crystal structure of [UO2I2(py)3].
• Authors of publication: Berthet, Jean-Claude; Nierlich, Martine; Ephritikhine, Michel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 870 - 871
• a: 14.968 ± 0.003 Å
• b: 15.662 ± 0.003 Å
• c: 17.193 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4030.5 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No