Information card for entry 2209884

Structure parameters

• Chemical name: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cadmate(II)
• Formula: C20 H20 Cd N14 O8
• Calculated formula: C20 H20 Cd N14 O8
• SMILES: [Cd]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.[nH+]1c(nc(nc1N)N)N.n1c(nc([nH+]c1N)N)N
• Title of publication: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cadmate(II)
• Authors of publication: Aghabozorg, Hossein; Aghajani, Zahra; Sharif, Mahboubeh A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1930 - m1932
• a: 10.552 ± 0.002 Å
• b: 10.564 ± 0.0019 Å
• c: 22.238 ± 0.004 Å
• α: 90°
• β: 100.803 ± 0.016°
• γ: 90°
• Cell volume: 2435 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes