Information card for entry 4000726

Structure parameters

• Formula: C20 H40 N6 S4 Zn
• Calculated formula: C20 H40 N6 S4 Zn
• SMILES: CCN(C1=[N]C(N(CC)CC)=[S][Zn]2(S1)[S]=C(N(CC)CC)N=C(N(CC)CC)S2)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: 9.092 ± 0.0008 Å
• b: 11.5052 ± 0.001 Å
• c: 26.955 ± 0.002 Å
• α: 90°
• β: 98.799 ± 0.002°
• γ: 90°
• Cell volume: 2786.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No