Information card for entry 4073421

Structure parameters

• Formula: C51 H93 N9 U
• Calculated formula: C51 H93 N9 U
• SMILES: [U]12345678(C#N)(C#N)(C#N)(C#N)(C#N)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Title of publication: Bent and Linear Uranium(IV) Metallocenes with Terminal and Bridging Cyanide Ligands
• Authors of publication: Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4585 - 4591
• a: 38.6077 ± 0.0008 Å
• b: 12.1228 ± 0.0004 Å
• c: 38.4765 ± 0.0014 Å
• α: 90°
• β: 118.949 ± 0.002°
• γ: 90°
• Cell volume: 15758.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No