Information card for entry 2012561

Structure parameters

• Formula: C14 H42 Cl4 O7 S7 U
• Calculated formula: C14 H42 Cl4 O7 S7 U
• SMILES: [U](Cl)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Cl-].[Cl-].[Cl-]
• Title of publication: Chloroheptakis(dimethyl sulfoxide)uranium(IV) trichloride
• Authors of publication: Warren J. Oldham; Brian L. Scott; Kent D. Abney; Wayne H. Smith; David A. Costa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m139 - m140
• a: 9.635 ± 0.0005 Å
• b: 22.0785 ± 0.0011 Å
• c: 15.5217 ± 0.0008 Å
• α: 90°
• β: 91.818 ± 0.001°
• γ: 90°
• Cell volume: 3300.2 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes