Information card for entry 2006183

Structure parameters

• Formula: C10 H8 Cd N2 O3 S2
• Calculated formula: C10 H8 Cd N2 O3 S2
• SMILES: [Cd]12([n]3ccccc3c3[n]1cccc3)[S](S(=O)(=O)[O-])[Cd]13([n]4ccccc4c4[n]1cccc4)[S](S(=O)(=O)O2)[Cd]12([n]4ccccc4c4[n]1cccc4)[S](S(=O)(=O)O3)[Cd]1([n]3ccccc3c3[n]1cccc3)SS(=O)(=O)O2
• Title of publication: (2,2'-Bipyridine-<i>N</i>,<i>N</i>')(μ-thiosulfato)cadmium(II)
• Authors of publication: Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 727 - 729
• a: 10.199 ± 0.002 Å
• b: 6.543 ± 0.001 Å
• c: 18.145 ± 0.003 Å
• α: 90°
• β: 104.77 ± 0.01°
• γ: 90°
• Cell volume: 1170.8 ± 0.4 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: 0.0286
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0506
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No