Information card for entry 2212534

Structure parameters

• Chemical name: N,N,N',N'-Tetramethylbutane-1,4-diammonium bis(p-aminobenzoate) 2.25-hydrate
• Formula: C22 H38.5 N4 O6.25
• Calculated formula: C22 H38.5 N4 O6.25
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylbutane-1,4-diammonium bis(<i>p</i>-aminobenzoate) 2.25-hydrate
• Authors of publication: A. Elangovan; A. Thamaraichelvan; A. Ramu; S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1418 - o1420
• a: 20.4798 ± 0.0009 Å
• b: 10.5692 ± 0.0007 Å
• c: 23.072 ± 0.018 Å
• α: 90°
• β: 92.79 ± 0.05°
• γ: 90°
• Cell volume: 4988 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes