Information card for entry 7012937

Structure parameters

• Formula: C43 H48 Cl4 N4 O2 U
• Calculated formula: C43 H48 Cl4 N4 O2 U
• SMILES: [U]1(Cl)(Cl)(Cl)(Cl)Oc2c(cc(cc2Cc2c(O1)c(cc(c2)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: 11.9036 ± 0.0008 Å
• b: 12.0479 ± 0.0006 Å
• c: 16.0063 ± 0.0012 Å
• α: 106.175 ± 0.004°
• β: 97.611 ± 0.003°
• γ: 92.191 ± 0.004°
• Cell volume: 2178.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No