Information card for entry 7718641

Structure parameters

• Formula: C47 H68 Cl2 O Th2
• Calculated formula: C47 H68 Cl2 O Th2
• Title of publication: Reactivity of a dithorium oxo complex from adventitious water.
• Authors of publication: Mahawar, Pritam; Kelley, Steven P.; Walensky, Justin R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8706 - 8711
• a: 27.7012 ± 0.0016 Å
• b: 9.9014 ± 0.0006 Å
• c: 17.2407 ± 0.0011 Å
• α: 90°
• β: 102.809 ± 0.002°
• γ: 90°
• Cell volume: 4611.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0496
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No