Information card for entry 4080341

Structure parameters

• Formula: C41 H65 Br3 N2 O3 Th
• Calculated formula: C33 H49 Br3 N2 O Th
• SMILES: [Th]1(Br)(Br)(Br)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands
• Authors of publication: Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1423
• a: 36.731 ± 0.009 Å
• b: 12.654 ± 0.003 Å
• c: 22.999 ± 0.006 Å
• α: 90°
• β: 124.22 ± 0.004°
• γ: 90°
• Cell volume: 8839 ± 4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No