Information card for entry 2014156

Structure parameters

• Chemical name: catena-Poly[[diaqua(nicotinato-κ^2^O,O')cadmium(II)]-μ-nicotinato-κ^3^N:O,O']
• Formula: C12 H12 Cd N2 O6
• Calculated formula: C12 H12 Cd N2 O6
• SMILES: [Cd]1([OH2])([OH2])(OC(=[O]1)c1cnccc1)([n]1cc(ccc1)C(=O)[O-])OC(=O)c1c[n]([Cd]2([OH2])([OH2])OC(=[O]2)c2cnccc2)ccc1
• Title of publication: <i>catena</i>-Poly[[diaqua(nicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-nicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']
• Authors of publication: Jian Zhang; Zhao-Ji Li; Yi-Hang Wen; Yao Kang; Ye-Yan Qin; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m389 - m391
• a: 7.862 ± 0.0003 Å
• b: 12.6448 ± 0.0005 Å
• c: 14.0134 ± 0.0002 Å
• α: 90°
• β: 97.755 ± 0.002°
• γ: 90°
• Cell volume: 1380.38 ± 0.08 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 significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No