Information card for entry 2235783

Structure parameters

• Chemical name: Bis(tetraethylammonium) oxalate dihydrate
• Formula: C18 H44 N2 O6
• Calculated formula: C18 H44 N2 O6
• SMILES: O=C([O-])C(=O)[O-].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O.O
• Title of publication: Bis(tetraethylammonium) oxalate dihydrate
• Authors of publication: McNeese, Timothy J.; Pike, Robert D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2382 - o2383
• a: 19.9302 ± 0.0004 Å
• b: 7.6627 ± 0.0001 Å
• c: 14.3253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2187.75 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes