Information card for entry 7706028

Structure parameters

• Formula: C64 H76 Cl3 N16 O24 Th
• Calculated formula: C64 H76 Cl3 N16 O24 Th
• Title of publication: Complexes of Th(IV) with neutral O-N-N-O hybrid ligands: a thermodynamic and crystallographic study.
• Authors of publication: Yang, Yanqiu; Lv, Lina; Liu, Yunnu; Chen, Baihua; Liu, Jun; Li, Xingliang; Luo, Shunzhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 705 - 714
• a: 16.5157 ± 0.0016 Å
• b: 14.385 ± 0.0014 Å
• c: 17.7543 ± 0.0014 Å
• α: 90°
• β: 97.528 ± 0.01°
• γ: 90°
• Cell volume: 4181.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No