Information card for entry 2224266

Structure parameters

• Chemical name: (2,2'-Bipyridyl)bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-<i>n</i>- propyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']cadmium(II) acetonitrile solvate
• Formula: C24 H35 Cd N5 O2 S4
• Calculated formula: C24 H35 Cd N5 O2 S4
• SMILES: [Cd]123([S]=C(S1)N(CCO)CCC)([S]=C(S2)N(CCO)CCC)[n]1c(c2[n]3cccc2)cccc1.N#CC
• Title of publication: (2,2'-Bipyridyl)bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-<i>n</i>-propyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']cadmium(II) acetonitrile solvate
• Authors of publication: Song, Juyoung C.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1669 - m1670
• a: 7.3277 ± 0.0007 Å
• b: 23.822 ± 0.002 Å
• c: 17.1159 ± 0.0018 Å
• α: 90°
• β: 99.786 ± 0.001°
• γ: 90°
• Cell volume: 2944.3 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes