Information card for entry 2011074

Structure parameters

• Chemical name: Catena-poly[[diaqua(phenanthroline-N,N')cadmium(II)-μ-(sulfato- O:O')]
• Formula: C12 H12 Cd N2 O6 S
• Calculated formula: C12 H12 Cd N2 O6 S
• SMILES: [Cd]1(OS(=O)(=O)[O-])([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])OS(=O)(=O)O[Cd]1([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23
• 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: 10.352 ± 0.001 Å
• b: 20.083 ± 0.002 Å
• c: 6.828 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No