Information card for entry 2011839

Structure parameters

• Formula: C88 H108 Cl8 Gd2 N12 O10 U
• Calculated formula: C90 H98 Cl8 Gd2 N10 O10 U
• SMILES: [U](=O)(=O)(Cl)(Cl)(Cl)Cl.C[O]1c2c(c(ccc2)/C=[NH+]/C(C)(C)C)O[Gd]21([n]1ccccc1)([n]1ccccc1)([O](C)c1c(O2)c(ccc1)/C=[NH+]/C(C)(C)C)(Cl)Cl.n1ccccc1.c1ccccc1.c1ccccc1.C[O]1c2c(c(ccc2)/C=[NH+]/C(C)(C)C)O[Gd]21([n]1ccccc1)([n]1ccccc1)([O](C)c1c(O2)c(ccc1)/C=[NH+]/C(C)(C)C)(Cl)Cl.n1ccccc1
• Title of publication: An ion pair uniting a gadolinium(III)‒Schiff base complex and uranyl tetrachloride
• Authors of publication: Pons y Moll, Olivier; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 392 - 393
• a: 11.1331 ± 0.0005 Å
• b: 11.8704 ± 0.0006 Å
• c: 18.8044 ± 0.0007 Å
• α: 92.239 ± 0.003°
• β: 101.526 ± 0.003°
• γ: 91.353 ± 0.003°
• Cell volume: 2431.86 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes