Information card for entry 2019037

Structure parameters

• Chemical name: Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate
• Formula: C30 H38 N6 O8 S4 Zn
• Calculated formula: C30 H38 N6 O8 S4 Zn
• SMILES: c1cc(cc2[n]1[Zn]13(OS(=O)(=O)SSS(=O)(=O)O3)([n]3ccc(cc3c3cc(cc[n]13)C)C)[n]1c2cc(cc1)C)C.N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue
• Authors of publication: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 745 - 749
• a: 20.8508 ± 0.0012 Å
• b: 10.8334 ± 0.0008 Å
• c: 16.9888 ± 0.001 Å
• α: 90°
• β: 107.956 ± 0.007°
• γ: 90°
• Cell volume: 3650.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes