Information card for entry 2210965

Structure parameters

• Chemical name: (Acetonitrile-κN)dichloro-bis(η5-pentamethylcyclopentadienyl)uranium(IV)
• Formula: C22 H33 Cl2 N U
• Calculated formula: C22 H33 Cl2 N U
• SMILES: [U]12345678(Cl)(Cl)([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
• Title of publication: (Acetonitrile-κ<i>N</i>)dichlorobis(η^5^-pentamethylcyclopentadienyl)uranium(IV)
• Authors of publication: Maynadié, Jèôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2942 - m2943
• a: 8.6352 ± 0.0004 Å
• b: 9.4663 ± 0.0006 Å
• c: 14.7519 ± 0.0011 Å
• α: 85.405 ± 0.004°
• β: 89.476 ± 0.005°
• γ: 72.268 ± 0.004°
• Cell volume: 1144.74 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes