Information card for entry 2229477

Structure parameters

• Chemical name: (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>- methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)
• Formula: C22 H32 Cd N4 S4
• Calculated formula: C22 H32 Cd N4 S4
• SMILES: [Cd]123([S]=C(S1)N(C)CCCC)([S]=C(S2)N(C)CCCC)[n]1ccccc1c1[n]3cccc1
• Title of publication: (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)
• Authors of publication: Jamaluddin, Nur Amirah; 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: 3
• Pages of publication: m384 - m385
• a: 10.3215 ± 0.0004 Å
• b: 10.6465 ± 0.0004 Å
• c: 12.4546 ± 0.0005 Å
• α: 81.566 ± 0.003°
• β: 74.79 ± 0.003°
• γ: 83.641 ± 0.003°
• Cell volume: 1302.63 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes