Information card for entry 4311699

Structure parameters

• Common name: Th[ETAM] dimer - trimethylammonium salt
• Formula: C64 H104 N12 O16 Th
• Calculated formula: C18 N4 O18 Th2
• Title of publication: Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators1
• Authors of publication: Christine J. Gramer; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6397 - 6402
• a: 18.2603 ± 0.0009 Å
• b: 18.5002 ± 0.0009 Å
• c: 19.675 ± 0.001 Å
• α: 90 ± 0.001°
• β: 117.298 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 5906.4 ± 0.5 ų
• Cell temperature: 156.2 K
• Ambient diffraction temperature: 156.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0
• Weighted residual factors for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No