Information card for entry 7012939

Structure parameters

• Formula: C54 H61 Cl3 N4 O3 U
• Calculated formula: C54 H61 Cl3 N4 O3 U
• SMILES: [U]12(Cl)(Cl)(Cl)Oc3c(cc(cc3Cc3c(O1)c(cc(c3)C(C)(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)C[n+]1ccccc1)C(C)(C)C)C[n+]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Complexes of uranium(IV) with acyclic polyphenoxides resulting from cleavage of homooxacalixarenes
• Authors of publication: Lionel Salmon; Pierre Thuéry; Michel Ephritikhine; Bernardo Masci
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2405 - 2410
• a: 9.4648 ± 0.001 Å
• b: 14.3274 ± 0.0012 Å
• c: 38.87 ± 0.003 Å
• α: 90°
• β: 95.906 ± 0.006°
• γ: 90°
• Cell volume: 5243 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1373
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No