Information card for entry 7023584

Structure parameters

• Formula: C40 H48 Al10 N8 O103.5 Th4
• Calculated formula: C40 H163 Al10 N8 O103.5 Th4
• Title of publication: Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.
• Authors of publication: Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13706 - 13714
• a: 9.3172 ± 0.0008 Å
• b: 16.6099 ± 0.0014 Å
• c: 19.508 ± 0.0014 Å
• α: 102.314 ± 0.003°
• β: 95.615 ± 0.003°
• γ: 92.473 ± 0.003°
• Cell volume: 2929 ± 0.4 ų
• Cell temperature: 483 ± 2 K
• Ambient diffraction temperature: 483 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No