Information card for entry 4308549

Structure parameters

• Formula: C27 H63 I4 N9 O9 U
• Calculated formula: C27 H63 I4 N9 O9 U
• SMILES: [U]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[I-].[I-].[I-].[I-]
• 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: 13.5474 ± 0.0002 Å
• b: 13.5474 ± 0.0002 Å
• c: 53.2687 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9776.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No