Information card for entry 2011628

Structure parameters

• Formula: C10 H26 N4 O12
• Calculated formula: C10 H26 N4 O12
• SMILES: C(=O)(c1cc(c(C(=O)[O-])cc1C(=O)[O-])C(=O)[O-])[O-].[NH4+].[NH4+].O.O.[NH4+].[NH4+].O.O
• Title of publication: Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate
• Authors of publication: Bergstrom, Christina L.; Luck, Rudy L.; Luehrs, Dean C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e591 - e591
• a: 6.559 ± 0.0011 Å
• b: 23.134 ± 0.005 Å
• c: 6.746 ± 0.0012 Å
• α: 90°
• β: 119.071 ± 0.015°
• γ: 90°
• Cell volume: 894.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes