Information card for entry 7002099

Structure parameters

• Formula: C58 H80 Cl4 N4 O U
• Calculated formula: C58 H80 Cl4 N4 O U
• SMILES: [U](Cl)(Cl)(Cl)(Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Synthesis and structure of a bis-N-heterocyclic carbene complex of uranium tetrachloride exhibiting short Cl⋯Ccarbene contacts
• Authors of publication: Gardner, Benedict M.; McMaster, Jonathan; Liddle, Stephen T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6924
• a: 47.5395 ± 0.0012 Å
• b: 47.5395 ± 0.0012 Å
• c: 13.896 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27197.5 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No