Information card for entry 7030989

Structure parameters

• Formula: C88 H100 F24 K2 N4 O18 U
• Calculated formula: C88 H100 F24 K2 N4 O18 U
• SMILES: [U](=O)(=O)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[K]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[O](C)CC[O]6C.[K]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[O](C)CC[O]6C
• Title of publication: Uranyl-oxo coordination directed by non-covalent interactions.
• Authors of publication: Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10844 - 10851
• a: 14.2737 ± 0.0004 Å
• b: 22.2064 ± 0.0007 Å
• c: 32.918 ± 0.001 Å
• α: 90°
• β: 95.921 ± 0.002°
• γ: 90°
• Cell volume: 10378.3 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.1237
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No