Information card for entry 4109323

Structure parameters

• Formula: C36 H40 F6 N2 Th
• Calculated formula: C36 H40 F6 N2 Th
• SMILES: [c]12([c]3([c]4([c]5([c]1([Th]16782345(N=C(C)c2cc(F)c(F)c(F)c2)([c]2([c]6([c]8([c]7([c]12C)C)C)C)C)N=C(C)c1cc(F)c(F)c(F)c1)C)C)C)C)C
• Title of publication: Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides
• Authors of publication: Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5139 - 5152
• a: 13.087 ± 0.003 Å
• b: 13.927 ± 0.003 Å
• c: 18.783 ± 0.005 Å
• α: 90°
• β: 99.272 ± 0.003°
• γ: 90°
• Cell volume: 3378.7 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0172
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No