Information card for entry 2208023

Structure parameters

• Chemical name: bis(melaminium) L-tartrate 2.5-hydrate
• Formula: C10 H23 N12 O8.5
• Calculated formula: C10 H22 N12 O8.5
• SMILES: C(=O)([O-])[C@@H]([C@H](C(=O)[O-])O)O.[nH+]1c(nc(nc1N)N)N.O.O.c1([nH+]c(nc(n1)N)N)N.O
• Title of publication: Supramolecular architecture of bis(melaminium) <small>L</small>-tartrate 2.5-hydrate
• Authors of publication: Udayalakshmi, K.; Thamotharan, S.; Ramamurthi, K.; Varghese, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o455 - o457
• a: 7.5217 ± 0.001 Å
• b: 22.186 ± 0.003 Å
• c: 10.9869 ± 0.0018 Å
• α: 90°
• β: 98.356 ± 0.012°
• γ: 90°
• Cell volume: 1814 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes