Information card for entry 2214110

Structure parameters

• Chemical name: Triethylaminium–trimesate–trimesic acid–water (1/1/1/2)
• Formula: C24 H31 N O14
• Calculated formula: C24 H31 N O14
• Title of publication: Triethylaminium–trimesate–trimesic acid–water (1/1/1/2)
• Authors of publication: Chen, Jia-Min; Sun, Jing-Jia; Huang Wei-Wei; Lao Yan-Ni; Yang, Shi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3053 - o3053
• a: 7.3762 ± 0.001 Å
• b: 9.4733 ± 0.0012 Å
• c: 20.754 ± 0.003 Å
• α: 87.502 ± 0.002°
• β: 87.584 ± 0.002°
• γ: 67.711 ± 0.002°
• Cell volume: 1340.1 ± 0.3 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: 0.0613
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes