Information card for entry 1512964

Structure parameters

• Formula: C245.2 H208 N8 O23.05 U3
• Calculated formula: C245.2 H208 N8 O23.05 U3
• SMILES: [U]123([N]([C@@H]([C@H]([N]1=Cc1cc(cc(c1O2)COc1ccc2ccc4cccc5c4c2c1cc5)C(C)(C)C)c1ccccc1)c1ccccc1)=Cc1cc(cc(c1O3)COc1ccc2c3c1ccc1cccc(c31)cc2)C(C)(C)C)(=O)(=O)Oc1c2c3c(cc1)ccc1cccc(c31)cc2.[U]123([OH][U]456([N]([C@H](c7ccccc7)[C@H]([N]4=Cc4c(O6)c(cc(c4)C(C)(C)C)COc4ccc6ccc7cccc8c7c6c4cc8)c4ccccc4)=Cc4cc(cc(c4O5)COc4ccc5ccc6cccc7c6c5c4cc7)C(C)(C)C)(=O)=O)([N](=Cc4cc(cc(c4O2)COc2ccc4ccc5cccc6c5c4c2cc6)C(C)(C)C)[C@@H]([C@H]([N]1=Cc1cc(cc(c1O3)COc1ccc2ccc3c4c2c1ccc4ccc3)C(C)(C)C)c1ccccc1)c1ccccc1)(=O)=O.[N+](C)(C)(C)C.C[N+](C)(C)C.Cc1ccccc1.Cc1ccccc1.OCC.O.O
• Title of publication: Mono- and dinuclear uranyl(VI) complexes with chiral Schiff base ligand
• Authors of publication: Giovanna Brancatelli; Andrea Pappalardo; Giuseppe Trusso Sfrazzetto; Anna Notti; Silvano Geremia
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 25 - 29
• a: 19.628 ± 0.001 Å
• b: 30.001 ± 0.002 Å
• c: 37.205 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21908.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No