Information card for entry 2007496

Structure parameters

• Chemical name: Aqua(1,10-phenanthrolyne-N,N')(μ-thiosulfato-S,O) cadmium(II)), hydrate.
• Formula: C12 H12 Cd N2 O5 S2
• Calculated formula: C12 H12 Cd N2 O5 S2
• SMILES: [Cd]1(SS(=O)(=O)[O-])([n]2cccc3ccc4ccc[n]1c4c23)([OH2])[S]([Cd]1([OH2])[n]2cccc3ccc4ccc[n]1c4c23)S(=O)(=O)[O-].O.O
• Title of publication: Aqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(μ~3~-thiosulfato-<i>S</i>:<i>S</i>:<i>O</i>)cadmium(II) Hydrate
• Authors of publication: Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1099 - 1102
• a: 13.558 ± 0.004 Å
• b: 7.051 ± 0.002 Å
• c: 15.482 ± 0.004 Å
• α: 90°
• β: 90.42 ± 0.02°
• γ: 90°
• Cell volume: 1480 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.084
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No