Information card for entry 2011075

Structure parameters

• Formula: C14 H16 Cd N2 O6 S
• Calculated formula: C14 H16 Cd N2 O6 S
• SMILES: [Cd]1([OH2])(OS(=O)(=O)O[Cd]2([OH2])([OH2])[n]3c(ccc4c3c3[n]2c(ccc3cc4)C)C)(OS(=O)(=O)[O-])([OH2])[n]2c(ccc3c2c2[n]1c(ccc2cc3)C)C
• Title of publication: <i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]
• Authors of publication: Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 811 - 813
• a: 15.384 ± 0.003 Å
• b: 14.826 ± 0.003 Å
• c: 6.926 ± 0.001 Å
• α: 90°
• β: 107.54 ± 0.03°
• γ: 90°
• Cell volume: 1506.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No