Information card for entry 7105215

Structure parameters

• Formula: C8 H20 Cl4 O4 Th
• Calculated formula: C8 H20 Cl4 O4 Th
• SMILES: [Th]12(Cl)(Cl)(Cl)(Cl)([O](C)CC[O]1C)[O](C)CC[O]2C
• 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: 16.644 ± 0.003 Å
• b: 7.3263 ± 0.0015 Å
• c: 14.877 ± 0.003 Å
• α: 90°
• β: 115.356 ± 0.002°
• γ: 90°
• Cell volume: 1639.3 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No