Information card for entry 4074441

Structure parameters

• Formula: C32 H48 I2 N6 U
• Calculated formula: C32 H48 I2 N6 U
• SMILES: [U]12345678([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[I-].[I-].N#CC
• Title of publication: From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State
• Authors of publication: Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5603 - 5611
• a: 16.0984 ± 0.001 Å
• b: 11.2243 ± 0.0007 Å
• c: 21.151 ± 0.0009 Å
• α: 90°
• β: 105.096 ± 0.004°
• γ: 90°
• Cell volume: 3690 ± 0.4 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: 0.0223
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No