Information card for entry 4109322

Structure parameters

• Formula: C36 H42 F4 N2 Th
• Calculated formula: C36 H42 F4 N2 Th
• SMILES: [Th]12345678(N=C(c9cc(F)cc(F)c9)C)(N=C(c9cc(F)cc(F)c9)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)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: 15.568 ± 0.002 Å
• b: 11.3893 ± 0.0017 Å
• c: 18.841 ± 0.003 Å
• α: 90°
• β: 90.668 ± 0.003°
• γ: 90°
• Cell volume: 3340.4 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No