Information card for entry 2231560

Structure parameters

• Chemical name: Bis(ethanolaminium) succinate‒succinic acid (1/1)
• Formula: C12 H26 N2 O10
• Calculated formula: C12 H26 N2 O10
• SMILES: C(=O)(CCC(=O)O)O.C(=O)(CCC(=O)[O-])[O-].C(O)C[NH3+].C(C[NH3+])O
• Title of publication: Bis(ethanolaminium) succinate‒succinic acid (1/1)
• Authors of publication: Zhang, Miao; Wang, Cong; Fan, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2504
• a: 5.821 ± 0.005 Å
• b: 8.428 ± 0.007 Å
• c: 9.077 ± 0.007 Å
• α: 87.74 ± 0.01°
• β: 73.628 ± 0.011°
• γ: 80.38 ± 0.012°
• Cell volume: 421.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes