Information card for entry 8101865

Structure parameters

• Chemical name: (2,2'-bipyridine)bis(n-butyl dithiocarbonato-S,S')cadmium(II)
• Formula: C20 H26 Cd N2 O2 S4
• Calculated formula: C20 H26 Cd N2 O2 S4
• SMILES: [Cd]123([S]=C(S1)OCCCC)([S]=C(S2)OCCCC)[n]1ccccc1c1[n]3cccc1
• Title of publication: Crystal structure of (2,2'-bipyridine)bis(n-butyldithiocarbonato-S, S')cadmium(II), Cd(C~4~H~9~COS~2~)~2~(C~10~H~8~N~2~)
• Authors of publication: Jiang, X.-H.; Zhang, W.-G.; Zhong, Y.; Wang, S.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 569 - 570
• a: 10.5503 ± 0.0007 Å
• b: 17.0555 ± 0.0011 Å
• c: 13.9358 ± 0.0009 Å
• α: 90°
• β: 98.316 ± 0.001°
• γ: 90°
• Cell volume: 2481.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No