Information card for entry 7105214

Structure parameters

• Formula: C12 H32 Cl4 O10 Th
• Calculated formula: C12 H32 Cl4 O10 Th
• SMILES: C1COCCO1.C1OCCOC1.[OH2][Th]([OH2])(Cl)([OH2])([OH2])(Cl)(Cl)Cl.C1COCCO1
• Title of publication: Convenient access to the anhydrous thorium tetrachloride complexes ThCl(4)(DME)(2), ThCl(4)(1,4-dioxane)(2) and ThCl(4)(THF)(3.5) using commercially available and inexpensive starting materials.
• Authors of publication: Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 919 - 921
• a: 10.2963 ± 0.0013 Å
• b: 12.3952 ± 0.0015 Å
• c: 18.491 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.9 ± 0.5 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No