Information card for entry 2215711

Structure parameters

• Chemical name: Poly[aqua(μ~4~-benzene-1,3-dicarboxylato-κ^4^O:O':O'':O''') bis(imidazole-κN)palladium(II)]
• Formula: C14 H14 N4 O5 Pd
• Calculated formula: C14 H14 N4 O5 Pd
• SMILES: [Pd]1([n]2cc[nH]c2)([n]2cc[nH]c2)([OH2])(OC(=O)c2cccc(c2)C(=O)[O-])[O]=C(c2cc(C(=O)O[Pd](n3cc[nH]c3)(n3cc[nH]c3)[OH2])ccc2)O1
• Title of publication: Poly[aqua(μ~4~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(imidazole-κ<i>N</i>)palladium(II)]
• Authors of publication: Hao, Lu-Jiang; Yu, Tong-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2555 - m2555
• a: 8.5814 ± 0.0017 Å
• b: 19.426 ± 0.004 Å
• c: 10.118 ± 0.002 Å
• α: 90°
• β: 96.62 ± 0.03°
• γ: 90°
• Cell volume: 1675.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0711
• 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