Information card for entry 7037002

Structure parameters

• Common name: Th(TPO)(OH)(H2O)
• Chemical name: Thorium carboxylate
• Formula: C21 H12 O17 P Th
• Calculated formula: C21 H12 O17 P Th
• Title of publication: Centrosymmetric and chiral porous thorium organic frameworks exhibiting uncommon thorium coordination environments.
• Authors of publication: Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Liu, Yunhai; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20867 - 20873
• a: 11.797 ± 0.002 Å
• b: 12.889 ± 0.002 Å
• c: 14.037 ± 0.003 Å
• α: 66.065 ± 0.004°
• β: 78.731 ± 0.004°
• γ: 69.924 ± 0.004°
• Cell volume: 1828.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0695
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No