Information card for entry 7024946

Structure parameters

• Formula: C20 H40 N6 S4 Zn
• Calculated formula: C20 H40 N6 S4 Zn
• SMILES: CCN(C1=NC(N(CC)CC)=[S][Zn]2(S1)[S]=C(N(CC)CC)N=C(N(CC)CC)S2)CC
• Title of publication: Metal complexes of thiobiurets and dithiobiurets: Novel single source precursors for metal sulfide thin film nanostructures.
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; O'Brien, Paul; Raftery, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1460 - 1463
• 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