Information card for entry 4000914

Structure parameters

• Formula: C20 H40 N6 Ni S4
• Calculated formula: C20 H40 N6 Ni S4
• SMILES: CCN(C1=NC(=[S][Ni]2(S1)SC(=NC(=[S]2)N(CC)CC)N(CC)CC)N(CC)CC)CC
• Title of publication: Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 6328
• a: 9.4941 ± 0.0015 Å
• b: 11.4556 ± 0.0017 Å
• c: 13.758 ± 0.002 Å
• α: 89.628 ± 0.003°
• β: 89.726 ± 0.003°
• γ: 67.548 ± 0.003°
• Cell volume: 1382.9 ± 0.4 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: 0.0651
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No