Information card for entry 4333266

Structure parameters

• Formula: C36 H40 F6 N2 U
• Calculated formula: C36 H40 F6 N2 U
• SMILES: [c]13([c]4([c]2([c]5([c]1([U]23451678([c]9([c]1([c]6([c]7([c]89C)C)C)C)C)(N=C(C)c1c(F)cc(cc1F)F)N=C(C)c1c(cc(F)cc1F)F)C)C)C)C)C
• Title of publication: Systematic Studies of Early Actinide Complexes: Uranium(IV) Fluoroketimides
• Authors of publication: Schelter, Eric J.; Yang, Ping; Scott, Brian L.; Thompson, J. D.; Martin, Richard L.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7477 - 7488
• a: 13.5252 ± 0.0005 Å
• b: 14.5744 ± 0.0005 Å
• c: 17.1466 ± 0.0006 Å
• α: 90°
• β: 96.434 ± 0.001°
• γ: 90°
• Cell volume: 3358.7 ± 0.2 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No