Information card for entry 4109321

Structure parameters

• Formula: C36 H44 F2 N2 Th
• Calculated formula: C36 H44 F2 N2 Th
• SMILES: [Th]12345678(N=C(C)c9ccccc9F)(N=C(C)c9ccccc9F)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)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: 10.18 ± 0.005 Å
• b: 17.88 ± 0.008 Å
• c: 18.364 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3343 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No