Information card for entry 2202632

Structure parameters

• Common name: Tris(2-ammonioethyl)amine benzene-1,3,5-tricarboxylate 5.5-hydrate
• Chemical name: 2,2',2''-Nitrilotri(ethylammonium) benzene-1,3,5-tricarboxylate 5.5-hydrate
• Formula: C15 H35 N4 O11.5
• Calculated formula: C15 H34.3 N4 O11.5
• Title of publication: Tris(2-ammonioethyl)amine benzene-1,3,5-tricarboxylate 5.5-hydrate
• Authors of publication: Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1076 - o1078
• a: 9.585 ± 0.001 Å
• b: 10.711 ± 0.001 Å
• c: 12.98 ± 0.002 Å
• α: 72.79 ± 0.01°
• β: 73.67 ± 0.01°
• γ: 62.93 ± 0.08°
• Cell volume: 1116.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes