Information card for entry 2235775

Structure parameters

• Common name: Bis(melaminium) succinate succinic acid monosolvate dihydrate
• Chemical name: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) succinate succinic acid monosolvate dihydrate
• Formula: C14 H28 N12 O10
• Calculated formula: C14 H28 N12 O10
• SMILES: c1(nc([nH+]c(n1)N)N)N.C(C(=O)[O-])CC(=O)[O-].C(C(=O)O)CC(=O)O.O.c1([nH+]c(nc(n1)N)N)N.O
• Title of publication: Bis(melaminium) succinate succinic acid monosolvate dihydrate
• Authors of publication: Froschauer, Barbara; Weil, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2555
• a: 7.1193 ± 0.0007 Å
• b: 8.165 ± 0.0008 Å
• c: 9.5595 ± 0.0009 Å
• α: 88.013 ± 0.002°
• β: 84.647 ± 0.002°
• γ: 88.093 ± 0.002°
• Cell volume: 552.68 ± 0.09 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: 0.1
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes