Information card for entry 2214752

Structure parameters

• Chemical name: catena-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-phthalato-κ^2^O:O']
• Formula: C18 H16 Cd N2 O6
• Calculated formula: C18 H16 Cd N2 O6
• SMILES: [Cd]1([n]2ccccc2c2[n]1cccc2)(OC(=O)c1ccccc1C(=O)[O-])([OH2])([OH2])OC(=O)c1c(C(=O)O[Cd]2([n]3ccccc3c3[n]2cccc3)([OH2])[OH2])cccc1
• Title of publication: <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-phthalato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Wang, Xiao-Yan; Dong, Chen-Chen; Deng, Xiao-Tao; Wang, Cheng-Gang; Hu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2079 - m2079
• a: 7.1268 ± 0.0005 Å
• b: 10.09 ± 0.0008 Å
• c: 12.211 ± 0.0009 Å
• α: 92.676 ± 0.001°
• β: 100.809 ± 0.001°
• γ: 90.382 ± 0.001°
• Cell volume: 861.46 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes