Information card for entry 1551698

Structure parameters

• Chemical name: Bis( -4-methylpiperidine-1-carbodithioato-1:2 3S,S':S'; 2:1 3S,S':S')bis[(4-methylpiperidine-1-carbodithioato- 2S,S')cadmium(II)]
• Formula: C28 H48 Cd2 N4 S8
• Calculated formula: C28 H48 Cd2 N4 S8
• SMILES: C1(N2CCC(CC2)C)=[S][Cd]23(S1)[S]=C(N1CCC(CC1)C)[S]2[Cd]12([S]=C(N4CCC(CC4)C)S1)[S]=C(N1CCC(CC1)C)[S]32
• Title of publication: Crystal Structure of Bis(μ-4-methylpiperidine-1-carbodithioato-1:2κ3S,S′:S′;2:1κ3S,S′:S′)bis[(4-methylpiperidine-1-carbodithioato-k2S,S′)cadmium(II)]
• Authors of publication: THIRUMARAN, S.; SRINIVASAN, N.; SHARMA, Vandana; GUPTA, Vivek K.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 21
• a: 8.5286 ± 0.0006 Å
• b: 11.4221 ± 0.0006 Å
• c: 11.4561 ± 0.0006 Å
• α: 112.632 ± 0.002°
• β: 97.216 ± 0.002°
• γ: 106.241 ± 0.002°
• Cell volume: 954.08 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No