Information card for entry 7718642

Structure parameters

• Formula: C72 H102 N4 O3 Th2
• Calculated formula: C68 H92 N4 O2 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: 13.1491 ± 0.0006 Å
• b: 14.3177 ± 0.0006 Å
• c: 17.8937 ± 0.0008 Å
• α: 86.192 ± 0.002°
• β: 72.698 ± 0.002°
• γ: 84.387 ± 0.002°
• Cell volume: 3198.4 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No