Information card for entry 2220783

Structure parameters

• Common name: 3[melamineH][H5O2][Cu(pydc)2].(pydcH2).6H2O
• Chemical name: Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexahydrate
• Formula: C44 H55 Cu2 N23 O28
• Calculated formula: C44 H55 Cu2 N23 O28
• Title of publication: Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexahydrate
• Authors of publication: Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Derikvand, Zohreh; Hooshmand, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m186 - m187
• a: 27.575 ± 0.003 Å
• b: 22.814 ± 0.003 Å
• c: 9.8068 ± 0.0012 Å
• α: 90°
• β: 108.327 ± 0.002°
• γ: 90°
• Cell volume: 5856.5 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes