Information card for entry 7023581

Structure parameters

• Formula: C10 H18 Al2 N2 O12
• Calculated formula: C10 H18 Al2 N2 O12
• SMILES: C1[N]23CC[N]45CC(=O)O[Al]65([OH][Al]3(OC(=O)C2)([OH2])(OC1=O)[OH]6)(OC(=O)C4)[OH2]
• 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: 11.1089 ± 0.001 Å
• b: 9.483 ± 0.0008 Å
• c: 7.6116 ± 0.0007 Å
• α: 90°
• β: 112.026 ± 0.003°
• γ: 90°
• Cell volume: 743.33 ± 0.12 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No