Information card for entry 2229999

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl- <i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium
• Formula: C20 H28 Cd N4 S4
• Calculated formula: C20 H28 Cd N4 S4
• SMILES: [Cd]123([S]=C(S1)N(C)C(C)C)([S]=C(S2)N(C)C(C)C)[n]1ccccc1c1[n]3cccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium
• Authors of publication: Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m551 - m552
• a: 9.6061 ± 0.0002 Å
• b: 28.6277 ± 0.0004 Å
• c: 9.8187 ± 0.0002 Å
• α: 90°
• β: 112.86 ± 0.002°
• γ: 90°
• Cell volume: 2488.07 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.053
• 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