Information card for entry 7101694

Structure parameters

• Formula: C29 H60 N8 O2 U
• Calculated formula: C29 H60 N8 O2 U
• SMILES: [U](=O)(=O)(C#N)(C#N)(C#N)(C#N)C#N.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: The first actinyl cyanide.
• Authors of publication: Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 604 - 606
• a: 17.6146 ± 0.0005 Å
• b: 12.2593 ± 0.0003 Å
• c: 17.4331 ± 0.0003 Å
• α: 90°
• β: 109.945 ± 0.0015°
• γ: 90°
• Cell volume: 3538.76 ± 0.15 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: 0.0276
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No