Information card for entry 4074439

Structure parameters

• Formula: C32 H47 I2 N U
• Calculated formula: C32 H47 I2 N U
• SMILES: [U]12345678([c]9([c]2([c]1([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(C)(C)C.c1(ccccc1)C
• 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: 17.0969 ± 0.0006 Å
• b: 12.9933 ± 0.0009 Å
• c: 15.0916 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3352.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No