Information card for entry 7043900

Structure parameters

• Formula: C31.5 H60 N2 Th
• Calculated formula: C24 H42 N2 Th
• SMILES: [Th]12345678(N(C)C)(N(C)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: Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)
• Authors of publication: Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.988 ± 0.003 Å
• b: 16.988 ± 0.003 Å
• c: 15.736 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3932.9 ± 1.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No