Information card for entry 2015181

Structure parameters

• Chemical name: catena-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline- κ^2^N,N')cadmium(II)]-μ~3~-thiosulfato-κ^3^S:S:O]
• Formula: C16 H18 Cd N2 O4 S2
• Calculated formula: C16 H18 Cd N2 O4 S2
• SMILES: [Cd]12([OH2])([S](S(=O)(=O)O3)[Cd]4([OH2])(SS(=O)(=O)O2)[n]2cc(c(c5ccc6c(c(c[n]4c5c26)C)C)C)C)([n]2cc(c(c4ccc5c(c(c[n]1c5c24)C)C)C)C)[S]([Cd]13([OH2])[n]2cc(c(c3ccc4c(c(c[n]1c4c23)C)C)C)C)S(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-thiosulfato-κ^3^<i>S</i>:<i>S</i>:<i>O</i>]
• Authors of publication: M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m494 - m496
• a: 11.086 ± 0.002 Å
• b: 21.846 ± 0.005 Å
• c: 7.2 ± 0.0015 Å
• α: 90°
• β: 105.615 ± 0.004°
• γ: 90°
• Cell volume: 1679.4 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes