Information card for entry 4000916

Structure parameters

• Formula: C12 H24 N6 Ni O2 S2
• Calculated formula: C12 H24 N6 Ni O2 S2
• SMILES: [Ni]12(OC(=NC(=[S]1)N(C)C)N(C)C)OC(=NC(=[S]2)N(C)C)N(C)C
• 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: 13.888 ± 0.003 Å
• b: 6.9629 ± 0.0014 Å
• c: 18.451 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No