Information card for entry 7001170

Structure parameters

• Formula: C35 H35 I2 Li N7 O2 U
• Calculated formula: C35 H35 I2 Li N7 O2 U
• SMILES: [U](=[O][Li](I)([n]1ccccc1)[n]1ccccc1)(=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[I-]
• Title of publication: Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions
• Authors of publication: Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3478 - 3494
• a: 17.1377 ± 0.0008 Å
• b: 12.3158 ± 0.0011 Å
• c: 18.564 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3918.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No