Information card for entry 4311698

Structure parameters

• Common name: Th[ETAM]4 - trimethylbenzylammonium salt
• Formula: C88 H120 N12 O16 Th
• Calculated formula: C48 H56 N8 O16 Th
• Title of publication: Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators
• 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: 13.757 ± 0.0003 Å
• b: 13.9293 ± 0.0003 Å
• c: 26.9124 ± 0.0006 Å
• α: 99.941 ± 0.001°
• β: 94.972 ± 0.001°
• γ: 103.16 ± 0.001°
• Cell volume: 4903.42 ± 0.19 ų
• Cell temperature: 149.2 K
• Ambient diffraction temperature: 149.2 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: 0.0774
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No