Information card for entry 4308551

Structure parameters

• Formula: C15 H15 I4 N3 U
• Calculated formula: C15 H15 I4 N3 U
• SMILES: [U](I)(I)(I)(I)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4
• Authors of publication: Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1142 - 1146
• a: 11.3294 ± 0.0003 Å
• b: 13.1236 ± 0.0005 Å
• c: 15.4734 ± 0.0006 Å
• α: 90°
• β: 107.094 ± 0.002°
• γ: 90°
• Cell volume: 2198.99 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No