Information card for entry 4074444

Structure parameters

• Formula: C24 H36 I N2 U
• Calculated formula: C24 H36 I N2 U
• SMILES: I[U]12345678([c]9([c]1([c]2(C)[c]3([c]49C)C)C)C)([c]1([c]5([c]6(C)[c]7([c]81C)C)C)C)([N]#CC)[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: 12.9263 ± 0.0007 Å
• b: 14.6453 ± 0.0008 Å
• c: 13.9515 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No