Information card for entry 2224109

Structure parameters

• Chemical name: <i>catena</i>-Poly[diammonium [diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cuprate(II)] [[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^-[tetraaquacadmium(II)]- μ-pyridine-2,4-dicarboxylato-κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2'^] hexahydrate]
• Formula: C28 H48 Cd Cu2 N6 O30
• Calculated formula: C28 H48 Cd Cu2 N6 O30
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])[O]=C1c2[n](ccc(c2)C(=O)[O-])[Cu]2([OH2])([OH2])(O1)OC(c1[n]2ccc(c1)C(=O)[O-])=[O][Cd]([OH2])([OH2])([OH2])([OH2])[O]=C1c2[n](ccc(c2)C(=O)[O-])[Cu]2(O1)(OC(=O)c1[n]2ccc(c1)C(=O)[O-])([OH2])[OH2].[Cu]12([OH2])([OH2])(OC(=O)c3[n]1ccc(C(=O)[O-])c3)OC(=O)c1[n]2ccc(C(=O)[O-])c1.[Cu]12([OH2])([OH2])(OC(=O)c3[n]1ccc(C(=O)[O-])c3)OC(=O)c1[n]2ccc(C(=O)[O-])c1.O.O.O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: <i>catena</i>-Poly[diammonium [diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cuprate(II)] [[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^-[tetraaquacadmium(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2'^] hexahydrate]
• Authors of publication: Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1568 - m1569
• a: 10.452 ± 0.0019 Å
• b: 10.5252 ± 0.0019 Å
• c: 10.6733 ± 0.0019 Å
• α: 102.869 ± 0.002°
• β: 103.536 ± 0.002°
• γ: 94.834 ± 0.002°
• Cell volume: 1101.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes