Information card for entry 7114738

Structure parameters

• Chemical name: trans-bis(1,3-dimesityl-4,5-dichloro-imidazol-2-ylidine)dichlorodioxouranium(VI)
• Formula: C50 H60 Cl6 N4 O4 U
• Calculated formula: C42 H44 Cl6 N4 O2 U
• SMILES: C1(N(c2c(cc(cc2C)C)C)C(=C(N1c1c(cc(cc1C)C)C)Cl)Cl)=[U](=C1N(c2c(cc(cc2C)C)C)C(=C(N1c1c(cc(cc1C)C)C)Cl)Cl)(=O)(=O)(Cl)Cl
• Title of publication: Synthesis and structure of N-heterocyclic carbene complexes of uranyl dichloride
• Authors of publication: Oldham Jr., Warren J.; Oldham, Susan M.; Smith, Wayne H.; Costa, David A.; Scott, Brian L.; Abney, Kent D.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1348
• a: 10.5163 ± 0.0005 Å
• b: 17.3511 ± 0.0008 Å
• c: 13.6466 ± 0.0006 Å
• α: 90°
• β: 95.162 ± 0.001°
• γ: 90°
• Cell volume: 2480 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No