Information card for entry 2219262

Structure parameters

• Common name: Dimelaminium bis(4-hydroxypyridine-2,6-carboxylato)cuprate(II) hexahydrated
• Chemical name: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(4-hydroxypyridine-2,6-carboxylato)cuprate(II) hexahydrate
• Formula: C20 H32 Cu N14 O16
• Calculated formula: C20 H32 Cu N14 O16
• SMILES: [Cu]1234(OC(=O)c5[n]3c(cc(O)c5)C(=O)O1)OC(=O)c1[n]4c(cc(O)c1)C(=O)O2.n1c(nc([nH+]c1N)N)N.n1c([nH+]c(nc1N)N)N.O.O.O.O.O.O
• Title of publication: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(4-hydroxypyridine-2,6-carboxylato)cuprate(II) hexahydrate
• Authors of publication: Ramos Silva, Manuela; Motyeian, Elham; Aghabozorg, Hossein; Ghadermazi, Mohammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1173 - m1174
• a: 11.2894 ± 0.0003 Å
• b: 37.7699 ± 0.0012 Å
• c: 7.3414 ± 0.0002 Å
• α: 90°
• β: 94.016 ± 0.002°
• γ: 90°
• Cell volume: 3122.68 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes