Information card for entry 7009353

Structure parameters

• Formula: C44 H50 N4 O14 S2 U2
• Calculated formula: C44 H50 N4 O14 S2 U2
• SMILES: c12ccc3ccccc3c2C=[N]2[U]3(O1)([O]=S(C)C)([O]([U]14([N](=Cc5c(ccc6ccccc56)O1)C(C[O]34)(CO)CO)(=O)(=O)[O]=S(C)C)CC2(CO)CO)(=O)=O.n1ccccc1c1ncccc1
• Title of publication: Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †
• Authors of publication: Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1213
• a: 16.775 Å
• b: 7.762 Å
• c: 17.891 Å
• α: 90°
• β: 101.07°
• γ: 90°
• Cell volume: 2286.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No