Information card for entry 4000725

Structure parameters

• Formula: C20 H40 Cd N6 S4
• Calculated formula: C20 H40 Cd N6 S4
• SMILES: CCN(C1=NC(=[S][Cd]2(S1)SC(=NC(=[S]2)N(CC)CC)N(CC)CC)N(CC)CC)CC
• Title of publication: Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1471
• a: 9.1838 ± 0.0011 Å
• b: 16.135 ± 0.002 Å
• c: 19.005 ± 0.002 Å
• α: 98.794 ± 0.002°
• β: 92.691 ± 0.003°
• γ: 90.956 ± 0.002°
• Cell volume: 2779.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.684
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No