Information card for entry 4317313

Structure parameters

• Formula: C36 H36 Cl N3 O6 S U
• Calculated formula: C36 H36 Cl N3 O6 S U
• SMILES: [U]123(Cl)(=O)(=O)Oc4c(C=[N]3c3cscc3[N]2=Cc2c(O1)c(OCc1ccccc1)ccc2)cccc4OCc1ccccc1.[N+](C)(C)(C)C
• Title of publication: Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State
• Authors of publication: Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11473 - 11484
• a: 18.9226 ± 0.0002 Å
• b: 18.9226 ± 0.0002 Å
• c: 19.5451 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6998.41 ± 0.18 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No