Information card for entry 2006556

Structure parameters

• Chemical name: Aquatetrachlorotris(tetrahydrofuran)thorium(IV). Tetrahydrofuran Solvate.
• Formula: C16 H34 Cl4 O5 Th
• Calculated formula: C16 H34 Cl4 O5 Th
• SMILES: [Th](Cl)(Cl)(Cl)(Cl)([OH2])([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Aquatetrachlorotris(tetrahydrofuran-<i>O</i>)thorium(IV) Tetrahydrofuran Solvate (1/1)
• Authors of publication: Spry, Marcus P; Errington, William; Willey, Gerald R
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1388 - 1390
• a: 29.0856 ± 0.0013 Å
• b: 9.7417 ± 0.0004 Å
• c: 21.114 ± 0.0009 Å
• α: 90°
• β: 126.853 ± 0.001°
• γ: 90°
• Cell volume: 4787.1 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0461
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No