Information card for entry 4310571

Structure parameters

• Formula: C69 H99 N3 O3
• Calculated formula: C69 H99 N3 O3
• SMILES: C1C2(CC3CC1CC(C2)C3)c1cc(cc(c1O)CN1CCN(Cc2c(O)c(C34CC5CC(C3)CC(C4)C5)cc(c2)C(C)(C)C)CCN(CC1)Cc1cc(cc(C23CC4CC(C3)CC(C2)C4)c1O)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)
• Authors of publication: Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 855 - 857
• a: 11.898 ± 0.003 Å
• b: 15.092 ± 0.004 Å
• c: 19.377 ± 0.005 Å
• α: 73.821 ± 0.004°
• β: 78.28 ± 0.004°
• γ: 76.325 ± 0.004°
• Cell volume: 3211.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No