Information card for entry 4073419

Structure parameters

• Formula: C58 H92 Cl4 Mg N2 O4 U2
• Calculated formula: C58 H92 Cl4 Mg N2 O4 U2
• SMILES: [U]12345678([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)(C#[N][Mg]([O]1CCCC1)([N]#C[U]12345678([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)(Cl)Cl)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)Cl
• 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: 9.3093 ± 0.0012 Å
• b: 32.315 ± 0.004 Å
• c: 10.4798 ± 0.0013 Å
• α: 90°
• β: 106.958 ± 0.006°
• γ: 90°
• Cell volume: 3015.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No