Information card for entry 2013336

Structure parameters

• Common name: Bis(melaminium) DL-malate tetrahydrate'
• Chemical name: Bis(1,3,5-triamine-2,4,6-trianine-1-ium) DL-malate tetrahydrate
• Formula: C10 H26 N12 O9
• Calculated formula: C10 H26 N12 O9
• SMILES: n1c(nc([nH+]c1N)N)N.n1c([nH+]c(nc1N)N)N.O=C([O-])CC(O)C(=O)[O-].O.O.O.O
• Title of publication: Bis(melaminium) <small>DL</small>-malate tetrahydrate
• Authors of publication: Jan Janczak; Genivaldo Julio Perpétuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o349 - o352
• a: 26.533 ± 0.005 Å
• b: 12.297 ± 0.002 Å
• c: 13.079 ± 0.003 Å
• α: 90°
• β: 110 ± 0.03°
• γ: 90°
• Cell volume: 4010 ± 1.6 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes