Information card for entry 4309322

Structure parameters

• Formula: C52 H46 I4 N2 O2 P2 U
• Calculated formula: C52 H46 I4 N2 O2 P2 U
• SMILES: N#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[U](I)(I)(=O)(=O)(I)I.N#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structural and Computational Investigations of UO2I42-: A Structurally Characterized U(VI)-I Anion
• Authors of publication: Margaret-Jane Crawford; Peter Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5547 - 5549
• a: 25.4148 ± 0.0005 Å
• b: 7.956 ± 0.0002 Å
• c: 28.5906 ± 0.0006 Å
• α: 90°
• β: 114.266 ± 0.0011°
• γ: 90°
• Cell volume: 5270.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No