Information card for entry 7114737

Structure parameters

• Chemical name: trans-bis(1,3-dimesityl-imidazol-2-ylidine)dichlorodioxouranium(VI)
• Formula: C66 H96 Cl2 N4 O8 U
• Calculated formula: C42 H48 Cl2 N4 O2 U
• SMILES: C1(N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)=[U](=O)(Cl)(=O)(Cl)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C
• 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: 29.33 ± 0.001 Å
• b: 29.33 ± 0.001 Å
• c: 18.879 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14064.8 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No