Information card for entry 4083993

Structure parameters

• Formula: C33 H58 Cl4 Li2 N4 U
• Calculated formula: C33 H58 Cl4 Li2 N4 U
• SMILES: [Cl]1[U]23456789([Cl][Li]1%10[N](CC[N]%10(C)C)(C)C)([Cl][Li]1([N](C)(C)CC[N]1(C)C)[Cl]9)[c]1([c]8([c]2([c]23[c]4([c]5([c]6([c]712)C)C)C)C)C)C.c1(ccccc1)C
• Title of publication: Half- and Mixed-Sandwich Uranium Permethylpentalene Compounds
• Authors of publication: Chadwick, F. Mark; O’Hare, Dermot M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3768
• a: 11.4224 ± 0.0002 Å
• b: 13.2168 ± 0.0002 Å
• c: 27.251 ± 0.0003 Å
• α: 90°
• β: 99.3827 ± 0.0008°
• γ: 90°
• Cell volume: 4058.98 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No