Information card for entry 2014482

Structure parameters

• Chemical name: poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ-thiosulfato]
• Formula: C12 H8 Cd N2 O3 S2
• Calculated formula: C12 H8 Cd N2 O3 S2
• SMILES: [Cd]1234([n]5cccc6ccc7ccc[n]2c7c56)SS(=[O]1)(=O)O[Cd]12([n]5cccc6ccc7ccc[n]2c7c56)SS(=[O]1)(O3)=[O][Cd]123([n]5cccc6ccc7ccc[n]2c7c56)[O]=S2(=[O]4)S[Cd]4(O2)([n]2cccc5ccc6ccc[n]4c6c25)OS(=[O]3)(=O)S1
• Title of publication: A new binding mode for thiosulfate in six-coordinate poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-thiosulfato]
• Authors of publication: M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m495 - m497
• a: 6.486 ± 0.0013 Å
• b: 9.253 ± 0.0019 Å
• c: 10.621 ± 0.002 Å
• α: 76.58 ± 0.03°
• β: 83.52 ± 0.03°
• γ: 83.5 ± 0.03°
• Cell volume: 613.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes