Information card for entry 7008707

Structure parameters

• Formula: C36 H58 Cl3 Li N2 O3 U
• Calculated formula: C36 H58 Cl3 Li N2 O3 U
• SMILES: [U]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(Cl)[O](CCN2c1c(cccc1C(C)C)C(C)C)CCN3c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide "ate" complexes and their conversion to salt-free bis(alkyl) complexes.
• Authors of publication: Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3083 - 3091
• a: 13.266 ± 0.003 Å
• b: 19.914 ± 0.002 Å
• c: 16.697 ± 0.003 Å
• α: 90°
• β: 106.776 ± 0.016°
• γ: 90°
• Cell volume: 4223.3 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.1603
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1884
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No