Information card for entry 4348350

Structure parameters

• Formula: C28 H32 N4 O20 U4
• Calculated formula: C28 H26 N4 O20 U4
• SMILES: c1cc2c(nccc2)c2c1cccn2.O=[U]123([O]=C(O[U]4(=O)(=O)O[U]5(=O)(=O)([O]2[U](=O)(=O)(O1)[O]=C(O5)C)([O]34)[OH2])C)(=O)[OH2].O.c1ccc2ccc3cccnc3c2n1.O
• Title of publication: Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state
• Authors of publication: Carter, Korey P.; Cahill, Christopher L.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 141
• a: 7.576 ± 0.006 Å
• b: 15.177 ± 0.006 Å
• c: 16.86 ± 0.007 Å
• α: 90°
• β: 102.094 ± 0.006°
• γ: 90°
• Cell volume: 1895.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No